 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer06_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-16277.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16278.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=31_naproxen_conformer06_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:39 2021, MaxMem=  5637144576 cpu:              13.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  3.99D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               7.9 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:43 2021, MaxMem=  5637144576 cpu:               8.0 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636645807 LenY=  5636400287
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.604727271676    
 DIIS: error= 4.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.604727271676     IErMin= 1 ErrMin= 4.69D-03
 ErrMax= 4.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-02 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.312 Goal=   None    Shift=    0.000
 GapD=    0.312 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.52D-02 MaxDP=1.02D+00              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.19D+00
 E= -766.635753405947     Delta-E=       -0.031026134270 Rises=F Damp=F
 DIIS: error= 8.86D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.635753405947     IErMin= 2 ErrMin= 8.86D-04
 ErrMax= 8.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-03 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.86D-03
 Coeff-Com: -0.497D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.493D-02 0.100D+01
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=3.25D-03 MaxDP=2.03D-01 DE=-3.10D-02 OVMax= 1.09D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.42D-03    CP:  1.26D+00  1.14D+00
 E= -766.636870819665     Delta-E=       -0.001117413718 Rises=F Damp=F
 DIIS: error= 9.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.636870819665     IErMin= 2 ErrMin= 8.86D-04
 ErrMax= 9.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-03 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.29D-03
 Coeff-Com: -0.621D-01 0.492D+00 0.570D+00
 Coeff-En:   0.000D+00 0.446D-01 0.955D+00
 Coeff:     -0.615D-01 0.488D+00 0.574D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=3.45D-04 MaxDP=2.15D-02 DE=-1.12D-03 OVMax= 4.72D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.93D-04    CP:  1.26D+00  1.15D+00  1.05D+00
 E= -766.637695381270     Delta-E=       -0.000824561605 Rises=F Damp=F
 DIIS: error= 1.60D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.637695381270     IErMin= 4 ErrMin= 1.60D-04
 ErrMax= 1.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-05 BMatP= 1.23D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.60D-03
 Coeff-Com: -0.146D-01 0.356D-01 0.144D+00 0.835D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.145D-01 0.355D-01 0.144D+00 0.835D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=5.36D-03 DE=-8.25D-04 OVMax= 1.46D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.26D+00  1.15D+00  1.07D+00  1.07D+00
 E= -766.637734717170     Delta-E=       -0.000039335900 Rises=F Damp=F
 DIIS: error= 7.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.637734717170     IErMin= 5 ErrMin= 7.30D-05
 ErrMax= 7.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-06 BMatP= 3.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-02-0.375D-01-0.163D-01 0.294D+00 0.758D+00
 Coeff:      0.145D-02-0.375D-01-0.163D-01 0.294D+00 0.758D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=4.50D-05 MaxDP=1.98D-03 DE=-3.93D-05 OVMax= 8.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.09D-05    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.11D+00
 E= -766.637741486220     Delta-E=       -0.000006769050 Rises=F Damp=F
 DIIS: error= 3.51D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.637741486220     IErMin= 6 ErrMin= 3.51D-05
 ErrMax= 3.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-06 BMatP= 5.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-02-0.216D-01-0.246D-01 0.508D-01 0.352D+00 0.641D+00
 Coeff:      0.227D-02-0.216D-01-0.246D-01 0.508D-01 0.352D+00 0.641D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=1.43D-05 MaxDP=5.95D-04 DE=-6.77D-06 OVMax= 3.12D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.99D-06    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.16D+00
                    CP:  1.18D+00
 E= -766.637742727909     Delta-E=       -0.000001241689 Rises=F Damp=F
 DIIS: error= 8.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.637742727909     IErMin= 7 ErrMin= 8.72D-06
 ErrMax= 8.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-07 BMatP= 1.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.459D-03-0.350D-03-0.519D-02-0.353D-01-0.237D-01 0.188D+00
 Coeff-Com:  0.876D+00
 Coeff:      0.459D-03-0.350D-03-0.519D-02-0.353D-01-0.237D-01 0.188D+00
 Coeff:      0.876D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=9.61D-06 MaxDP=3.17D-04 DE=-1.24D-06 OVMax= 2.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.02D-06    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.20D+00
                    CP:  1.29D+00  1.53D+00
 E= -766.637742981577     Delta-E=       -0.000000253668 Rises=F Damp=F
 DIIS: error= 3.89D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.637742981577     IErMin= 8 ErrMin= 3.89D-06
 ErrMax= 3.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-08 BMatP= 1.06D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-03 0.294D-02 0.240D-02-0.151D-01-0.545D-01-0.563D-01
 Coeff-Com:  0.200D+00 0.920D+00
 Coeff:     -0.209D-03 0.294D-02 0.240D-02-0.151D-01-0.545D-01-0.563D-01
 Coeff:      0.200D+00 0.920D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=3.10D-06 MaxDP=1.07D-04 DE=-2.54D-07 OVMax= 1.12D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.63D-06    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.20D+00
                    CP:  1.34D+00  1.66D+00  1.22D+00
 E= -766.637743023803     Delta-E=       -0.000000042226 Rises=F Damp=F
 DIIS: error= 1.72D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.637743023803     IErMin= 9 ErrMin= 1.72D-06
 ErrMax= 1.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-09 BMatP= 1.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-03 0.116D-02 0.168D-02-0.975D-03-0.172D-01-0.501D-01
 Coeff-Com: -0.458D-01 0.379D+00 0.732D+00
 Coeff:     -0.135D-03 0.116D-02 0.168D-02-0.975D-03-0.172D-01-0.501D-01
 Coeff:     -0.458D-01 0.379D+00 0.732D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=4.57D-05 DE=-4.22D-08 OVMax= 3.86D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.65D-07    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.72D+00  1.27D+00  1.17D+00
 E= -766.637743030239     Delta-E=       -0.000000006436 Rises=F Damp=F
 DIIS: error= 6.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.637743030239     IErMin=10 ErrMin= 6.58D-07
 ErrMax= 6.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-10 BMatP= 3.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.539D-05-0.153D-03 0.738D-04 0.209D-02 0.428D-02-0.298D-02
 Coeff-Com: -0.417D-01-0.619D-01 0.149D+00 0.951D+00
 Coeff:     -0.539D-05-0.153D-03 0.738D-04 0.209D-02 0.428D-02-0.298D-02
 Coeff:     -0.417D-01-0.619D-01 0.149D+00 0.951D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=5.86D-07 MaxDP=2.10D-05 DE=-6.44D-09 OVMax= 1.90D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.40D-07    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.75D+00  1.32D+00  1.28D+00  1.32D+00
 E= -766.637743031276     Delta-E=       -0.000000001037 Rises=F Damp=F
 DIIS: error= 2.02D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.637743031276     IErMin=11 ErrMin= 2.02D-07
 ErrMax= 2.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-11 BMatP= 3.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-04-0.223D-03-0.215D-03 0.920D-03 0.393D-02 0.594D-02
 Coeff-Com: -0.862D-02-0.726D-01-0.510D-01 0.329D+00 0.793D+00
 Coeff:      0.175D-04-0.223D-03-0.215D-03 0.920D-03 0.393D-02 0.594D-02
 Coeff:     -0.862D-02-0.726D-01-0.510D-01 0.329D+00 0.793D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=1.01D-05 DE=-1.04D-09 OVMax= 4.82D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.75D+00  1.33D+00  1.32D+00  1.40D+00
                    CP:  1.22D+00
 E= -766.637743031377     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 5.04D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.637743031377     IErMin=12 ErrMin= 5.04D-08
 ErrMax= 5.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-12 BMatP= 5.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.493D-05-0.361D-04-0.624D-04-0.225D-04 0.385D-03 0.193D-02
 Coeff-Com:  0.328D-02-0.931D-02-0.332D-01-0.401D-01 0.207D+00 0.871D+00
 Coeff:      0.493D-05-0.361D-04-0.624D-04-0.225D-04 0.385D-03 0.193D-02
 Coeff:      0.328D-02-0.931D-02-0.332D-01-0.401D-01 0.207D+00 0.871D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=7.99D-08 MaxDP=4.57D-06 DE=-1.00D-10 OVMax= 1.97D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.90D-08    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.75D+00  1.33D+00  1.33D+00  1.44D+00
                    CP:  1.30D+00  1.12D+00
 E= -766.637743031381     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 2.61D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.637743031381     IErMin=13 ErrMin= 2.61D-08
 ErrMax= 2.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-13 BMatP= 5.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-06 0.116D-04 0.346D-05-0.919D-04-0.294D-03-0.364D-05
 Coeff-Com:  0.169D-02 0.483D-02-0.509D-02-0.454D-01-0.252D-01 0.268D+00
 Coeff-Com:  0.802D+00
 Coeff:     -0.286D-06 0.116D-04 0.346D-05-0.919D-04-0.294D-03-0.364D-05
 Coeff:      0.169D-02 0.483D-02-0.509D-02-0.454D-01-0.252D-01 0.268D+00
 Coeff:      0.802D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=2.69D-08 MaxDP=1.65D-06 DE=-4.32D-12 OVMax= 7.27D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.76D-08    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.75D+00  1.33D+00  1.33D+00  1.44D+00
                    CP:  1.33D+00  1.20D+00  1.06D+00
 E= -766.637743031349     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 1.07D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -766.637743031381     IErMin=14 ErrMin= 1.07D-08
 ErrMax= 1.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-13 BMatP= 8.03D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.799D-06 0.895D-05 0.104D-04-0.261D-04-0.161D-03-0.284D-03
 Coeff-Com:  0.324D-04 0.303D-02 0.322D-02-0.880D-02-0.408D-01-0.401D-01
 Coeff-Com:  0.244D+00 0.840D+00
 Coeff:     -0.799D-06 0.895D-05 0.104D-04-0.261D-04-0.161D-03-0.284D-03
 Coeff:      0.324D-04 0.303D-02 0.322D-02-0.880D-02-0.408D-01-0.401D-01
 Coeff:      0.244D+00 0.840D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=5.12D-07 DE= 3.23D-11 OVMax= 4.01D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  7.14D-09    CP:  1.26D+00  1.15D+00  1.08D+00  1.13D+00  1.21D+00
                    CP:  1.35D+00  1.75D+00  1.33D+00  1.33D+00  1.44D+00
                    CP:  1.34D+00  1.23D+00  1.17D+00  1.14D+00
 E= -766.637743031411     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 8.47D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -766.637743031411     IErMin=15 ErrMin= 8.47D-09
 ErrMax= 8.47D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-14 BMatP= 1.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.650D-07-0.890D-06 0.868D-06 0.138D-04 0.307D-04-0.407D-04
 Coeff-Com: -0.332D-03-0.473D-03 0.153D-02 0.794D-02-0.182D-02-0.585D-01
 Coeff-Com: -0.132D+00 0.140D+00 0.104D+01
 Coeff:     -0.650D-07-0.890D-06 0.868D-06 0.138D-04 0.307D-04-0.407D-04
 Coeff:     -0.332D-03-0.473D-03 0.153D-02 0.794D-02-0.182D-02-0.585D-01
 Coeff:     -0.132D+00 0.140D+00 0.104D+01
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=6.77D-09 MaxDP=2.46D-07 DE=-6.28D-11 OVMax= 3.34D-07

 SCF Done:  E(RM11) =  -766.637743031     A.U. after   15 cycles
            NFock= 15  Conv=0.68D-08     -V/T= 2.0115
 KE= 7.579149032566D+02 PE=-4.050171566030D+03 EE= 1.391154024013D+03
 Leave Link  502 at Fri Aug 13 11:21:37 2021, MaxMem=  5637144576 cpu:            6602.7 elap:             833.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.65217952D+02

 Leave Link  801 at Fri Aug 13 11:21:38 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.89D-01 9.35D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.36D-02 1.13D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 6.00D-03 3.14D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.18D-03 8.76D-03.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.66D-04 4.36D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.24D-05 5.96D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 8.24D-07 1.40D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 3.50D-08 3.86D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.28D-09 6.55D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 4.24D-11 9.62D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.55D-12 1.71D-07.
      5 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.12D-13 3.80D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 7.01D-14 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.291945D+03
      2 -0.165492D+02  0.174078D+03
      3 -0.798042D+01 -0.111654D+02  0.120495D+03
 Isotropic polarizability for W=    0.088559      195.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.355261D+03 -0.179883D+03  0.165792D+02
      2  -0.175145D+03  0.141907D+03 -0.487475D+02
      3  -0.180117D+03  0.379754D+02  0.321683D+02
      4  -0.105493D+03  0.955071D+02 -0.428273D+02
      5   0.771361D+02 -0.517242D+02 -0.534576D+02
      6  -0.175338D+02  0.154548D+02 -0.427760D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.568730D+01  0.204241D+02 -0.241976D+01
      2  -0.171498D+01 -0.156486D+02 -0.267023D+02
      3   0.126334D+03 -0.540622D+02  0.190126D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.889690D+01  0.642023D+02  0.422530D+02
      2  -0.605569D+02 -0.252935D+02  0.126659D+03
      3   0.743898D+02 -0.270652D+03  0.341904D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.542225D+00 -0.422161D+01 -0.163981D+02
      2  -0.422161D+01  0.339296D+00  0.219206D+01
      3  -0.163981D+02  0.219206D+01 -0.212037D+01
 OR G Eigenvalues:   -17.8485    -0.8650    16.3902  Iso=     0.7744
 Eigenvectors:
   (1)   0.695469   0.075300   0.714600
   (2)   0.146818   0.958622  -0.243902
   (3)   0.703397  -0.274543  -0.655636
 w=    0.088559 a.u., Optical Rotation Beta=      0.7744 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      170.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 7.82D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.91D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.49D-02 4.45D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 6.03D-03 2.32D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.80D-04 3.25D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.78D-06 3.33D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.81D-07 3.98D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 3.70D-09 4.72D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 6.50D-11 5.91D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 9.35D-13 9.17D-08.
     10 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 2.66D-14 1.27D-08.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 1.35D-14 1.00D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.22D-15 4.11D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   284 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.98D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.98D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291945D+03 -0.165492D+02 -0.798042D+01
      2  -0.165492D+02  0.174078D+03 -0.111654D+02
      3  -0.798042D+01 -0.111654D+02  0.120495D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.568730D+01  0.204241D+02 -0.241976D+01
      2  -0.171498D+01 -0.156486D+02 -0.267023D+02
      3   0.126334D+03 -0.540622D+02  0.190126D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.355261D+03 -0.179883D+03  0.165792D+02
      2  -0.175145D+03  0.141907D+03 -0.487475D+02
      3  -0.180117D+03  0.379754D+02  0.321683D+02
      4  -0.105493D+03  0.955071D+02 -0.428273D+02
      5   0.771361D+02 -0.517242D+02 -0.534576D+02
      6  -0.175338D+02  0.154548D+02 -0.427760D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404650D+02  0.120877D+02 -0.741855D+00 -0.385661D+02  0.784070D+01
      2   0.120877D+02 -0.771015D+01  0.116435D+01  0.784070D+01 -0.647161D+01
      3  -0.741855D+00  0.116435D+01 -0.178971D-01  0.756342D-01  0.945465D+00
                 6             7             8             9            10 
      1   0.756342D-01  0.118775D+02 -0.303313D+01 -0.106757D+01  0.379249D+02
      2   0.945465D+00 -0.303313D+01  0.167493D+01 -0.944961D+00 -0.115066D+02
      3  -0.140708D+00 -0.106757D+01 -0.944961D+00  0.647515D+00  0.531387D+00
                11            12            13            14            15 
      1  -0.115066D+02  0.531387D+00  0.420834D+02 -0.909177D+01  0.124482D+00
      2   0.395926D+01 -0.227377D+00 -0.909177D+01  0.873142D+01 -0.140654D+01
      3  -0.227377D+00  0.391743D-01  0.124482D+00 -0.140654D+01  0.187186D+00
                16            17            18            19            20 
      1  -0.123700D+02  0.323801D+01  0.865272D+00  0.398629D+02 -0.117521D+02
      2   0.323801D+01 -0.196412D+01  0.110779D+01 -0.117521D+02  0.111192D+02
      3   0.865272D+00  0.110779D+01 -0.511019D+00  0.779762D+00 -0.213951D+01
                21            22            23            24            25 
      1   0.779762D+00 -0.198314D+02  0.390982D+01 -0.369565D+00  0.311741D+01
      2  -0.213951D+01  0.390982D+01 -0.763620D+01  0.365580D+00 -0.719621D+00
      3   0.603661D+00 -0.369565D+00  0.365580D+00 -0.169346D+01 -0.413969D+00
                26            27            28            29            30 
      1  -0.719621D+00 -0.413969D+00 -0.430541D+02  0.650031D+01  0.428049D+00
      2  -0.425902D+00 -0.295415D+01  0.650031D+01 -0.433106D+01  0.383513D-01
      3  -0.295415D+01  0.207067D+01  0.428049D+00  0.383513D-01 -0.208353D+01
                31            32            33            34            35 
      1   0.100274D+02 -0.300137D+01 -0.100243D+01 -0.392433D+01 -0.688181D+00
      2  -0.300137D+01  0.167235D+02 -0.366494D+01 -0.688181D+00 -0.307427D+01
      3  -0.100243D+01 -0.366494D+01  0.847196D+00 -0.582533D+01  0.171381D+01
                36            37            38            39            40 
      1  -0.582533D+01 -0.517983D+01 -0.235476D+01  0.528881D+00  0.793848D+01
      2   0.171381D+01 -0.235476D+01 -0.130139D+02  0.291295D+01 -0.188028D+01
      3   0.211622D+00  0.528881D+00  0.291295D+01 -0.266941D+01 -0.886717D+00
                41            42            43            44            45 
      1  -0.188028D+01 -0.886717D+00 -0.176318D+01 -0.708655D+00 -0.494846D+01
      2  -0.679385D+01  0.273447D+01 -0.708655D+00  0.372775D+01  0.186453D+01
      3   0.273447D+01  0.689226D+00 -0.494846D+01  0.186453D+01 -0.835253D+00
                46            47            48            49            50 
      1   0.115098D+02  0.139085D+01 -0.622460D+00 -0.404013D+00 -0.275683D+01
      2   0.139085D+01  0.930037D+01 -0.159366D+01 -0.275683D+01  0.203639D+00
      3  -0.622460D+00 -0.159366D+01  0.205838D+01  0.104493D+01  0.151220D+01
                51            52            53            54            55 
      1   0.104493D+01 -0.348803D+00  0.108698D+01  0.989071D+00 -0.575676D+01
      2   0.151220D+01  0.108698D+01  0.154455D+01  0.361269D+01 -0.296973D+01
      3   0.801825D+00  0.989071D+00  0.361269D+01 -0.240200D+01  0.957724D+00
                56            57            58            59            60 
      1  -0.296973D+01  0.957724D+00 -0.479979D+00  0.337348D+01 -0.112724D+01
      2  -0.477435D+01  0.668493D+00  0.337348D+01 -0.231352D+01 -0.868579D+00
      3   0.668493D+00 -0.198239D+01 -0.112724D+01 -0.868579D+00 -0.825906D+00
                61            62            63            64            65 
      1   0.294961D+00 -0.112936D+01 -0.434771D+00 -0.160552D+01 -0.230970D+01
      2  -0.112936D+01 -0.988783D+00 -0.331196D+01 -0.230970D+01 -0.107856D+01
      3  -0.434771D+00 -0.331196D+01  0.234317D+01  0.547782D+00  0.283495D+00
                66            67            68            69            70 
      1   0.547782D+00 -0.304675D+01 -0.271674D+01  0.819265D+00  0.749426D+00
      2   0.283495D+00 -0.271674D+01 -0.532470D+01  0.127041D+01  0.794481D+00
      3  -0.406043D+00  0.819265D+00  0.127041D+01 -0.116903D+01 -0.368299D+00
                71            72            73            74            75 
      1   0.794481D+00 -0.368299D+00 -0.568553D+01  0.351043D+01 -0.460242D+00
      2   0.135156D+01 -0.515788D+00  0.351043D+01 -0.361807D+01  0.550709D+00
      3  -0.515788D+00  0.376381D+00 -0.460242D+00  0.550709D+00 -0.546586D+00
                76            77            78            79            80 
      1   0.377531D+01 -0.464835D+01  0.985675D+00 -0.591054D+00  0.107672D+01
      2  -0.464835D+01  0.664405D+01 -0.101610D+01  0.107672D+01 -0.125876D+01
      3   0.985675D+00 -0.101610D+01  0.924237D+00  0.172274D+00  0.563229D+00
                81            82            83            84            85 
      1   0.172274D+00  0.133328D+01  0.189586D+01 -0.517795D+00  0.759684D+00
      2   0.563229D+00  0.189586D+01  0.271035D+01 -0.691759D+00  0.188537D+01
      3  -0.372334D+00 -0.517795D+00 -0.691759D+00  0.494177D+00 -0.440584D+00
                86            87            88            89            90 
      1   0.188537D+01 -0.440584D+00 -0.302691D+00 -0.553781D+00  0.179248D+00
      2   0.981029D+01 -0.220554D+01 -0.553781D+00 -0.258544D+01  0.784415D+00
      3  -0.220554D+01  0.144623D+01  0.179248D+00  0.784415D+00 -0.473094D+00
                91            92            93            94            95 
      1   0.126205D+02 -0.188936D+01  0.360261D+00  0.403291D+01  0.153766D+01
      2  -0.188936D+01  0.176988D+01  0.788030D+00  0.153766D+01 -0.249611D+01
      3   0.360261D+00  0.788030D+00  0.271477D+01  0.662608D+00  0.236744D+01
                96            97            98            99           100 
      1   0.662608D+00 -0.341397D+01  0.137102D+01  0.739919D+01  0.855801D+01
      2   0.236744D+01  0.137102D+01  0.214926D+01 -0.124526D+00  0.363669D+00
      3   0.991959D+00  0.739919D+01 -0.124526D+00 -0.201980D+01 -0.186558D+01
               101           102           103           104           105 
      1   0.363669D+00 -0.186558D+01 -0.242488D+00 -0.195220D+01 -0.222233D+00
      2  -0.183051D+01 -0.388479D+00 -0.195220D+01 -0.709011D-01 -0.371249D+01
      3  -0.388479D+00 -0.213076D+01 -0.222233D+00 -0.371249D+01 -0.843912D+00
               106           107           108           109           110 
      1   0.527613D+01 -0.716519D+00 -0.501644D+01  0.460784D+01  0.321544D+01
      2  -0.716519D+00 -0.271195D+01 -0.242608D+00  0.321544D+01  0.141317D+01
      3  -0.501644D+01 -0.242608D+00  0.291992D+01 -0.183688D+01 -0.572262D+00
               111           112           113           114           115 
      1  -0.183688D+01  0.955731D+00  0.144297D+01 -0.134826D+01 -0.564282D+01
      2  -0.572262D+00  0.144297D+01  0.657746D+00 -0.121831D+01 -0.151467D+01
      3  -0.547724D+00 -0.134826D+01 -0.121831D+01 -0.257589D+00 -0.291632D+01
               116           117           118           119           120 
      1  -0.151467D+01 -0.291632D+01 -0.161025D+01  0.238266D+01 -0.100379D+01
      2  -0.169339D+01 -0.931277D-01  0.238266D+01 -0.197939D+01  0.134331D+00
      3  -0.931277D-01 -0.647691D-01 -0.100379D+01  0.134331D+00 -0.127180D+01
               121           122           123           124           125 
      1   0.430310D+01 -0.221140D+01  0.258822D+00 -0.161199D+01  0.187632D+00
      2  -0.221140D+01  0.513339D+01 -0.127385D+01  0.187632D+00 -0.156731D+01
      3   0.258822D+00 -0.127385D+01  0.139069D+01 -0.162803D+01  0.116701D+01
               126           127           128           129           130 
      1  -0.162803D+01  0.175994D+00 -0.772132D+00  0.443286D+00 -0.190544D+01
      2   0.116701D+01 -0.772132D+00  0.888182D+00 -0.397305D+00  0.264234D+00
      3  -0.809564D+00  0.443286D+00 -0.397305D+00  0.142621D+01  0.364277D+00
               131           132           133           134           135 
      1   0.264234D+00  0.364277D+00  0.553374D+00  0.101712D-01  0.255490D+00
      2  -0.331779D+01  0.214350D+01  0.101712D-01  0.163596D+01 -0.143086D+01
      3   0.214350D+01 -0.268156D+01  0.255490D+00 -0.143086D+01  0.227822D+01
               136           137           138           139           140 
      1  -0.146744D+02  0.102327D+00  0.361292D+01 -0.592783D+00 -0.116983D+01
      2   0.102327D+00 -0.799502D+00 -0.182664D+00 -0.116983D+01 -0.792704D-01
      3   0.361292D+01 -0.182664D+00 -0.235521D+01  0.528824D-01  0.733188D+00
               141           142           143           144           145 
      1   0.528824D-01  0.163055D+01  0.145944D+00 -0.140921D+01 -0.305579D+00
      2   0.733188D+00  0.145944D+00  0.186513D+00 -0.500277D-02  0.885292D+00
      3  -0.807273D-01 -0.140921D+01 -0.500277D-02  0.514781D+00  0.764913D+00
               146           147           148           149           150 
      1   0.885292D+00  0.764913D+00  0.143259D+01  0.149573D+00 -0.403732D+00
      2   0.100343D+01  0.648909D+00  0.149573D+00  0.402423D+01  0.307069D+01
      3   0.648909D+00  0.144884D+01 -0.403732D+00  0.307069D+01  0.348410D+01
               151           152           153           154           155 
      1   0.216158D+00 -0.866481D-01  0.154491D+00 -0.149238D+02 -0.484551D+01
      2  -0.866481D-01  0.218807D+01  0.237139D+01 -0.484551D+01 -0.293982D+01
      3   0.154491D+00  0.237139D+01  0.373932D+01  0.115363D+01 -0.110444D+00
               156           157           158           159           160 
      1   0.115363D+01 -0.752253D+01 -0.568036D+01  0.705287D+00  0.149971D+01
      2  -0.110444D+00 -0.568036D+01 -0.502680D+01  0.656564D+00  0.666821D+00
      3  -0.242987D+01  0.705287D+00  0.656564D+00 -0.149879D+01 -0.238169D+01
               161           162           163           164           165 
      1   0.666821D+00 -0.238169D+01 -0.811743D+01 -0.293770D+01 -0.234772D+01
      2   0.119165D+01 -0.131681D+01 -0.293770D+01 -0.517963D+00 -0.189834D-01
      3  -0.131681D+01  0.178458D+01 -0.234772D+01 -0.189834D-01 -0.889488D+00
               166           167           168           169           170 
      1  -0.582233D+01 -0.120865D+01 -0.786570D+00  0.280981D+00  0.109808D+00
      2  -0.120865D+01 -0.115547D+01 -0.181341D+01  0.109808D+00 -0.427263D+00
      3  -0.786570D+00 -0.181341D+01 -0.209145D+01 -0.633069D+00 -0.138321D+01
               171           172           173           174           175 
      1  -0.633069D+00  0.776236D+01  0.247188D+01  0.617916D+00  0.658836D+01
      2  -0.138321D+01  0.247188D+01  0.952882D+00  0.389429D+00  0.137410D+01
      3  -0.638554D+01  0.617916D+00  0.389429D+00  0.208709D+01  0.987629D+00
               176           177           178           179           180 
      1   0.137410D+01  0.987629D+00  0.267316D+01  0.583308D+00  0.132727D+01
      2   0.565055D+00 -0.337749D+00  0.583308D+00 -0.832236D+00  0.594633D+00
      3  -0.337749D+00  0.141717D+01  0.132727D+01  0.594633D+00 -0.125875D+01
               181           182           183           184           185 
      1   0.491599D+01  0.255778D+01 -0.602722D+00 -0.130517D+02  0.428473D+01
      2   0.255778D+01  0.883698D+01 -0.205832D+01  0.428473D+01  0.336044D+01
      3  -0.602722D+00 -0.205832D+01  0.246988D+01  0.498488D+00 -0.209874D+01
               186           187           188           189           190 
      1   0.498488D+00  0.318539D+01 -0.410993D+00  0.370179D+01  0.405438D+02
      2  -0.209874D+01 -0.410993D+00 -0.279852D+01 -0.202078D+01 -0.900555D+01
      3  -0.860712D+00  0.370179D+01 -0.202078D+01  0.880003D+00  0.442128D+00
               191           192           193           194           195 
      1  -0.900555D+01  0.442128D+00 -0.525738D+01  0.299395D+01  0.131040D+01
      2   0.937668D+01 -0.107598D+01  0.299395D+01 -0.137468D+02  0.284685D+01
      3  -0.107598D+01  0.326104D+01  0.131040D+01  0.284685D+01 -0.735696D+00
               196           197           198           199           200 
      1  -0.384088D+00  0.140965D+01  0.643795D+01 -0.366321D+02  0.123265D+02
      2   0.140965D+01  0.205375D+01 -0.197551D+01  0.123265D+02 -0.917398D+01
      3   0.643795D+01 -0.197551D+01 -0.146520D+00 -0.757806D+00  0.175064D+01
               201           202           203           204           205 
      1  -0.757806D+00  0.197032D+02 -0.618739D+01  0.530533D+00 -0.228618D+01
      2   0.175064D+01 -0.618739D+01  0.792212D+01 -0.339085D-03  0.104314D+01
      3  -0.520238D+00  0.530533D+00 -0.339085D-03  0.179300D+01  0.116259D+00
               206           207           208           209           210 
      1   0.104314D+01  0.116259D+00 -0.119333D+02  0.548608D+01 -0.691015D+00
      2   0.870516D+00  0.386807D+01  0.548608D+01 -0.394920D+01  0.691785D+00
      3   0.386807D+01 -0.255009D+01 -0.691015D+00  0.691785D+00 -0.179452D-01
               211           212           213           214           215 
      1  -0.297812D+00  0.258985D+01 -0.607780D+00  0.893494D+00 -0.838222D+00
      2   0.258985D+01  0.115667D+01 -0.496928D+00 -0.838222D+00  0.293569D+00
      3  -0.607780D+00 -0.496928D+00 -0.799645D+00  0.441256D+00  0.684400D+00
               216           217           218           219           220 
      1   0.441256D+00 -0.143134D+01 -0.407432D+01  0.960286D+00 -0.508708D+01
      2   0.684400D+00 -0.407432D+01  0.172294D+01  0.196086D+00 -0.112105D+01
      3  -0.171508D+00  0.960286D+00  0.196086D+00 -0.522540D-01  0.507864D+00
               221           222           223           224           225 
      1  -0.112105D+01  0.507864D+00  0.105122D+01  0.410037D+00 -0.199132D+01
      2   0.244927D+01  0.193816D+01  0.410037D+00  0.152071D+01  0.381759D+01
      3   0.193816D+01  0.494147D+01 -0.199132D+01  0.381759D+01 -0.316812D+01
               226           227           228           229           230 
      1  -0.100034D+01 -0.166783D+01  0.457052D+00 -0.548713D+00 -0.127330D+01
      2  -0.166783D+01 -0.233742D+01  0.607868D+00 -0.127330D+01 -0.855474D+01
      3   0.457052D+00  0.607868D+00 -0.437117D+00  0.320545D+00  0.191801D+01
               231           232           233           234           235 
      1   0.320545D+00  0.228059D+00  0.462045D+00 -0.328053D-01  0.580623D+01
      2   0.191801D+01  0.462045D+00  0.220036D+01 -0.703819D+00 -0.315996D+01
      3  -0.133568D+01 -0.328053D-01 -0.703819D+00  0.452969D+00  0.388181D+00
               236           237           238           239           240 
      1  -0.315996D+01  0.388181D+00 -0.453921D+01  0.448767D+01 -0.945152D+00
      2   0.277966D+01 -0.396538D+00  0.448767D+01 -0.569065D+01  0.910960D+00
      3  -0.396538D+00  0.402079D+00 -0.945152D+00  0.910960D+00 -0.820456D+00
               241           242           243           244           245 
      1   0.731955D+00 -0.102775D+01 -0.190612D+00  0.206461D+01  0.290473D+01
      2  -0.102775D+01  0.117671D+01 -0.343284D+00  0.290473D+01  0.211735D+01
      3  -0.190612D+00 -0.343284D+00  0.294912D+00 -0.789152D+00 -0.584538D+00
               246           247           248           249           250 
      1  -0.789152D+00  0.342349D+01  0.350253D+01 -0.930765D+00 -0.965091D+00
      2  -0.584538D+00  0.350253D+01  0.691382D+01 -0.163834D+01 -0.974700D+00
      3   0.585487D+00 -0.930765D+00 -0.163834D+01  0.135390D+01  0.585286D+00
               251           252           253           254           255 
      1  -0.974700D+00  0.585286D+00 -0.367076D+00 -0.280746D+00 -0.959123D+00
      2  -0.183866D+01  0.592711D+00 -0.280746D+00 -0.518888D+00 -0.935948D-02
      3   0.592711D+00 -0.486137D+00 -0.959123D+00 -0.935948D-02 -0.468917D+00
               256           257           258           259           260 
      1  -0.205520D+01  0.233366D+01  0.109520D+01 -0.316391D+01  0.155431D+01
      2   0.233366D+01 -0.498655D+01 -0.271127D+01  0.155431D+01 -0.289838D+01
      3   0.109520D+01 -0.271127D+01 -0.265347D+01  0.172195D+01 -0.282665D+01
               261           262           263           264           265 
      1   0.172195D+01  0.407622D+00 -0.116963D-01  0.134113D+01 -0.585985D+00
      2  -0.282665D+01 -0.116963D-01 -0.326067D+00 -0.296495D+00  0.131521D+01
      3  -0.312520D+01  0.134113D+01 -0.296495D+00  0.609241D-01 -0.975849D+00
               266           267           268           269           270 
      1   0.131521D+01 -0.975849D+00  0.441434D+01 -0.162508D+01  0.304253D+01
      2  -0.183598D+01  0.144214D+01 -0.162508D+01  0.175497D+01 -0.242252D+01
      3   0.144214D+01 -0.207961D+01  0.304253D+01 -0.242252D+01  0.651183D+01
               271           272           273           274           275 
      1   0.146486D+02  0.145620D+01 -0.111913D+01  0.481313D+01  0.161403D+01
      2   0.145620D+01  0.948449D+00 -0.817520D-01  0.161403D+01  0.120537D+01
      3  -0.111913D+01 -0.817520D-01  0.117545D+01 -0.297643D+00 -0.392507D+00
               276           277           278           279 
      1  -0.297643D+00 -0.190576D+01 -0.122779D+00  0.186859D+01
      2  -0.392507D+00 -0.122779D+00 -0.455847D+00 -0.126718D+00
      3   0.300209D+00  0.186859D+01 -0.126718D+00 -0.246192D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220605D+01  0.243681D+01 -0.225099D+00  0.208462D+01 -0.618495D+00
      2   0.187551D+01  0.860182D+01 -0.128656D+01  0.682183D+01 -0.685964D+01
      3  -0.165861D+02  0.413154D+02 -0.932786D+01  0.194705D+02 -0.268486D+02
                 6             7             8             9            10 
      1  -0.852865D-01 -0.460801D+01  0.856340D+01 -0.208498D+01 -0.919224D-01
      2   0.200955D+01 -0.195138D+02  0.314705D+01  0.213026D+00 -0.163509D+00
      3   0.550355D+01  0.153723D+01  0.287066D+01 -0.102549D+00  0.318847D+02
                11            12            13            14            15 
      1   0.337252D+01 -0.121564D+01  0.617081D-01  0.953028D+00  0.540336D+00
      2   0.951766D+01 -0.588884D+01  0.480454D+01 -0.603482D+01  0.135644D+01
      3   0.350738D+02 -0.959394D+01  0.671768D+02 -0.332497D+02  0.409758D+01
                16            17            18            19            20 
      1  -0.445552D+01  0.695553D+01 -0.174390D+01 -0.320595D+01 -0.518647D+00
      2  -0.201465D+02  0.297504D+01  0.801359D+00 -0.464774D+01 -0.732552D+01
      3  -0.133987D+02  0.508702D+01 -0.493588D+00  0.143510D+02 -0.380746D+02
                21            22            23            24            25 
      1   0.254381D+00 -0.471328D+00 -0.151445D+00 -0.105624D+01 -0.501367D+01
      2   0.943764D+00 -0.285916D+01  0.292015D+01  0.571616D+00 -0.185651D+02
      3   0.868888D+01 -0.829930D+01  0.679453D+01 -0.233995D+01  0.711936D+01
                26            27            28            29            30 
      1   0.306266D+01 -0.974191D+00 -0.660838D+00  0.127245D+01  0.476386D+00
      2   0.750361D+01 -0.170816D+01 -0.121303D+01  0.265109D+01  0.900313D+00
      3  -0.235176D+01 -0.145594D+01 -0.337639D+02  0.118853D+02 -0.126329D+01
                31            32            33            34            35 
      1   0.441660D+01  0.476421D+01  0.956742D-01  0.322317D+01  0.118207D+02
      2   0.356304D+01 -0.163248D+01  0.409180D+00 -0.115341D+02  0.165482D+01
      3   0.323037D+02 -0.119293D+02 -0.268121D+00 -0.455252D+01 -0.831768D+00
                36            37            38            39            40 
      1  -0.277862D+01  0.804971D-01  0.615867D+00  0.603711D+01  0.293696D+01
      2   0.266603D+00 -0.410182D+01  0.158828D+01  0.123841D+01 -0.230769D+01
      3  -0.344185D+01 -0.180940D+02  0.584532D+01 -0.168024D+01  0.745893D+01
                41            42            43            44            45 
      1  -0.421370D+00 -0.163546D+01  0.169118D+02  0.433568D+01 -0.147405D+01
      2  -0.234675D+01 -0.120944D+01 -0.837882D+01 -0.698423D+01  0.217141D+01
      3   0.414116D+00 -0.137088D+01 -0.178191D+01 -0.621702D+00 -0.672202D+01
                46            47            48            49            50 
      1   0.257495D+00 -0.288473D+01 -0.499535D+01 -0.285117D+01 -0.432940D+00
      2   0.609217D+01 -0.781395D+01  0.189232D+01 -0.567736D+01  0.657601D+01
      3   0.354971D+02 -0.330688D+02  0.675485D+01 -0.661156D+01  0.243016D+02
                51            52            53            54            55 
      1  -0.287809D+01 -0.919344D+01 -0.413166D+01  0.380352D+01  0.655034D+00
      2  -0.134138D+01 -0.153314D+02  0.297004D+00  0.164364D+01  0.742976D+01
      3  -0.405475D+01  0.432766D+01 -0.283724D+01  0.519900D+01  0.343285D+02
                56            57            58            59            60 
      1  -0.409614D+01 -0.368332D+01 -0.163684D+01  0.636237D+00 -0.178164D+01
      2  -0.891673D+01 -0.290697D+01 -0.669265D+01  0.558678D+01 -0.270523D+01
      3  -0.335762D+02  0.824158D+01 -0.588707D+01  0.301028D+02 -0.393426D+01
                61            62            63            64            65 
      1  -0.795049D+01 -0.246344D+01  0.188183D+01 -0.562836D+00 -0.516525D+00
      2  -0.196149D+02 -0.251546D+01  0.544937D+01  0.681703D+00  0.744751D+00
      3   0.585202D+01 -0.183806D+01  0.978234D+01  0.315892D+00 -0.617869D-01
                66            67            68            69            70 
      1  -0.131720D+01 -0.717179D+00 -0.155731D+01 -0.285395D+01 -0.809577D+00
      2   0.325032D+00  0.123336D+01 -0.529399D+00  0.173963D+01 -0.212170D+01
      3   0.206126D+00  0.339357D+01 -0.562017D+01  0.124214D+01  0.117307D-01
                71            72            73            74            75 
      1   0.256389D+01  0.204386D+00 -0.460589D+00  0.411799D+00  0.250286D+01
      2  -0.102275D+01  0.106229D+00 -0.161986D+01  0.218004D+00  0.176426D+01
      3   0.141827D+01  0.263229D+00 -0.102517D+02  0.174224D+01 -0.216701D+00
                76            77            78            79            80 
      1  -0.131233D+01  0.316830D+00 -0.376778D+01 -0.277633D+01  0.866900D+00
      2  -0.453782D+00  0.321140D+00 -0.243113D+01 -0.197556D+01 -0.365999D+00
      3   0.376739D+01  0.572940D+00  0.764406D+00  0.629515D+00 -0.197688D+00
                81            82            83            84            85 
      1   0.665960D+00  0.641263D+00  0.363587D+00 -0.189407D+01  0.645802D+00
      2   0.821250D+00  0.129727D+01  0.763953D+00  0.618780D+00  0.101859D+01
      3   0.115766D+01  0.607896D+01  0.323291D+01 -0.130229D+01  0.495389D+01
                86            87            88            89            90 
      1   0.118837D+01 -0.518238D+01  0.126839D+01  0.205862D+01  0.712490D+00
      2   0.112689D+01  0.986242D+00 -0.888988D+00  0.287694D+00 -0.621620D+00
      3   0.361392D+01 -0.143331D+01 -0.152868D+01 -0.167393D+01 -0.304901D+00
                91            92            93            94            95 
      1   0.254730D+01  0.108611D+01 -0.162713D+01  0.564908D+01  0.522648D+00
      2  -0.397816D+01 -0.179540D+01 -0.584539D+01 -0.210965D+01 -0.106650D+02
      3   0.109650D+02  0.182337D+01  0.206569D+01  0.228869D+02 -0.141778D+02
                96            97            98            99           100 
      1  -0.213015D+01 -0.197414D+01  0.563745D+01  0.989207D+00  0.357180D+01
      2  -0.173749D+01 -0.329928D+02  0.969686D+00  0.554076D+01 -0.107860D+02
      3   0.102639D+02 -0.118039D+01  0.138258D+02  0.718804D+01  0.519302D+01
               101           102           103           104           105 
      1  -0.653705D+01  0.855444D+00 -0.243236D+01  0.415211D+00 -0.124404D+02
      2  -0.738065D+00  0.168320D+02 -0.247776D+01  0.197881D+02  0.336425D+01
      3  -0.143976D+02 -0.335300D+00 -0.811018D+01  0.130082D+01 -0.168171D+02
               106           107           108           109           110 
      1   0.311941D+01 -0.634273D+01 -0.376217D+01 -0.310224D+01  0.222653D+01
      2   0.173176D+02  0.240009D+00 -0.593865D+01  0.110106D+02  0.610588D+01
      3   0.670637D+01 -0.156847D+02 -0.543891D+01 -0.869946D+01  0.586784D+01
               111           112           113           114           115 
      1   0.987375D+01 -0.849626D+01 -0.760572D+01 -0.520520D+01  0.900903D+01
      2   0.285072D+01  0.660163D+01  0.511999D+01 -0.912771D+01  0.469653D+01
      3  -0.814229D+01  0.613849D+01  0.169448D+02 -0.443648D+01 -0.126627D+02
               116           117           118           119           120 
      1   0.175345D+01  0.485469D+01  0.148439D+01 -0.103916D+01  0.110729D+01
      2  -0.249262D+01  0.509198D+01  0.425636D+01 -0.151125D+01  0.548605D+01
      3  -0.871699D+01 -0.395171D+01  0.907250D+01 -0.700197D+01  0.100094D+00
               121           122           123           124           125 
      1  -0.127652D+01  0.182386D+01 -0.284999D+01  0.984701D+00 -0.333818D+00
      2  -0.164556D+01  0.577712D+01 -0.538813D+01  0.364909D+01 -0.423091D+01
      3  -0.128809D+01  0.185397D+02 -0.503406D+01 -0.968478D+00 -0.640715D+01
               126           127           128           129           130 
      1   0.970540D+00 -0.271640D+01  0.317706D+01 -0.110919D+01  0.143336D+01
      2   0.320917D+01 -0.423630D+01  0.392193D+01 -0.585931D+01  0.362810D+01
      3   0.299408D+01 -0.520389D+01  0.432304D+01 -0.216640D+01  0.382030D+01
               131           132           133           134           135 
      1  -0.920113D+01  0.348618D+01 -0.589043D+00  0.516509D+01 -0.323701D+01
      2  -0.102240D+02  0.984003D+01 -0.317522D+01  0.572117D+01 -0.906585D+01
      3  -0.139172D+02  0.908597D+01 -0.410059D+00  0.610478D+01 -0.577822D+01
               136           137           138           139           140 
      1  -0.253304D+01 -0.247393D+01  0.724273D+00 -0.254204D+01 -0.981286D+00
      2   0.102974D+02  0.716274D+00  0.690395D+01  0.659272D+00 -0.992386D+00
      3  -0.716972D+01 -0.589028D+01  0.113649D+01 -0.428222D+01 -0.117000D+01
               141           142           143           144           145 
      1   0.690828D+00  0.194326D+00  0.155003D+01 -0.756407D-01  0.184626D+01
      2   0.553794D+00  0.144939D+01  0.611756D+00  0.246265D+00 -0.435212D+01
      3   0.276468D+01  0.122432D-01  0.285989D+01 -0.979045D+00  0.360580D+01
               146           147           148           149           150 
      1   0.305728D+01  0.195807D+00  0.181543D+01  0.816062D+01  0.299100D+01
      2  -0.407292D+01 -0.639840D+01 -0.227888D+01 -0.129851D+02 -0.127342D+02
      3   0.449572D+01  0.243799D+01  0.381824D+01  0.149865D+02  0.109606D+02
               151           152           153           154           155 
      1  -0.488830D+00  0.513352D+01  0.287005D+01  0.372417D+01 -0.112154D-01
      2  -0.348269D+01 -0.924502D+01 -0.142837D+02 -0.114835D+02 -0.246542D+01
      3  -0.563962D+00  0.799245D+01  0.870000D+01 -0.684311D+01 -0.193999D+02
               156           157           158           159           160 
      1  -0.684356D+01  0.589886D+01  0.461590D+01 -0.529421D+01 -0.434534D+01
      2   0.180346D+02 -0.208109D+01 -0.529924D+01  0.121750D+02  0.648582D+01
      3   0.410669D+00 -0.168195D+02 -0.263628D+02  0.190436D+01  0.352850D+01
               161           162           163           164           165 
      1   0.824964D+00  0.260014D+01  0.423300D+01  0.235027D+01 -0.322243D+01
      2   0.478165D+01 -0.103242D+02 -0.890966D+01 -0.539707D+01  0.212502D+01
      3   0.540181D+01 -0.334340D+01 -0.677597D+01 -0.427574D+01  0.196361D+01
               166           167           168           169           170 
      1   0.732687D+01  0.503657D+01  0.447427D+00 -0.104570D+01  0.605274D+01
      2  -0.922974D+01  0.465354D+01  0.845777D+01 -0.274160D+01  0.432908D+01
      3  -0.480706D+00 -0.599356D+01 -0.909762D+01  0.344417D+01 -0.231119D+01
               171           172           173           174           175 
      1  -0.428296D+01 -0.711530D+01 -0.338312D+01  0.127424D+01 -0.852746D+01
      2   0.202647D+02  0.175994D+02  0.434775D+01 -0.578705D+01  0.923469D+01
      3  -0.480164D+01  0.164924D+01  0.267604D+01  0.190315D+01  0.818830D+01
               176           177           178           179           180 
      1  -0.369119D+01 -0.103269D+01  0.817550D+00  0.412489D+00 -0.917252D+00
      2   0.378312D+01 -0.449650D+01 -0.284599D+01 -0.107295D+01  0.519238D+01
      3   0.170255D+01  0.938779D+00  0.178288D+01  0.963051D+00  0.453933D+00
               181           182           183           184           185 
      1   0.347326D+00  0.314175D+01  0.441459D+01  0.241202D+01  0.930159D+00
      2  -0.573933D+01  0.136067D+01  0.631918D+01 -0.375954D+01 -0.549366D+01
      3  -0.216011D+02  0.437582D+01 -0.165300D+01 -0.183746D+02 -0.665489D+01
               186           187           188           189           190 
      1  -0.233173D+01  0.104450D+02  0.501335D+01 -0.229100D+01 -0.114503D+01
      2  -0.160175D+01 -0.513578D+01 -0.879320D+01  0.209800D+01 -0.325779D+01
      3   0.356765D+01  0.628932D+01  0.358040D+01 -0.122520D+01  0.146096D+02
               191           192           193           194           195 
      1   0.260069D+01 -0.287263D+01  0.215621D+01  0.130862D+01  0.276531D+01
      2   0.494159D+01 -0.109253D+01  0.958070D+01 -0.917275D+00 -0.772562D+00
      3   0.145555D+02 -0.381799D+01  0.344607D+02 -0.425438D+01  0.263358D-02
               196           197           198           199           200 
      1  -0.882819D+00  0.128597D+02 -0.365254D+01 -0.620354D+00 -0.285246D+01
      2   0.144408D+00  0.193972D+01 -0.291289D+00 -0.358296D+01 -0.622958D+01
      3  -0.939384D+01 -0.533148D-01  0.513297D+01 -0.363097D+02 -0.254780D+02
               201           202           203           204           205 
      1   0.119078D+01 -0.223141D+01  0.174709D+01 -0.340679D+01 -0.710671D+01
      2   0.442472D+01 -0.401997D+01  0.786391D+01  0.156127D+01 -0.159303D+02
      3   0.710871D+01  0.129117D+02  0.754092D+01 -0.539087D+01  0.313227D+01
               206           207           208           209           210 
      1   0.320578D+01  0.640486D+00  0.104953D+01 -0.227682D+01  0.336439D+01
      2   0.153655D+02 -0.626657D+01  0.155777D+01 -0.632082D+01  0.145956D+02
      3  -0.700704D+01 -0.695597D+01 -0.549710D+01 -0.369907D+02  0.556295D+01
               211           212           213           214           215 
      1   0.413345D+00 -0.175792D+01 -0.465616D+01  0.146205D+01 -0.108763D+01
      2  -0.201347D+01 -0.276744D+01 -0.489904D+01 -0.468780D+01  0.313420D+01
      3  -0.225694D+01 -0.640916D+01  0.255471D+01  0.163620D+01  0.287685D+01
               216           217           218           219           220 
      1   0.109740D+01  0.669761D+00  0.899770D+00 -0.990408D+00 -0.974066D+00
      2  -0.624904D+00  0.694940D+01  0.347178D+01 -0.979045D+00  0.404425D+01
      3  -0.383399D+01  0.328147D+02  0.251433D+01 -0.485655D+01  0.176480D+02
               221           222           223           224           225 
      1   0.250769D+01  0.566206D+01 -0.994950D+01  0.867323D+01 -0.400144D+01
      2   0.878635D+01  0.312227D+02 -0.162432D+02  0.245029D+02 -0.202316D+02
      3  -0.283193D+02 -0.102418D+02 -0.414018D+01 -0.821160D+01 -0.249129D+02
               226           227           228           229           230 
      1   0.136853D+00 -0.252100D+00 -0.150556D+01  0.937611D-01 -0.871901D+00
      2   0.214514D+01  0.174669D+01 -0.343065D+00  0.147326D+01  0.424981D+01
      3   0.796802D+01  0.565766D+01 -0.184162D+01  0.567051D+01  0.166989D+02
               231           232           233           234           235 
      1  -0.402644D+01  0.947817D+00  0.276589D+01  0.343799D+00 -0.881887D+00
      2  -0.136238D+01 -0.548559D+00 -0.139080D+01  0.317860D+00 -0.195759D+01
      3  -0.421834D+01 -0.210430D+01 -0.471312D+01  0.897057D+00 -0.351779D+01
               236           237           238           239           240 
      1   0.733027D+00  0.149226D+01 -0.274341D+00 -0.582847D+00 -0.279733D+01
      2  -0.176441D-01  0.164232D+01 -0.120961D+01  0.160960D+01 -0.325334D+01
      3  -0.391500D+01  0.762546D+00 -0.441914D+01  0.127453D+02 -0.162167D+01
               241           242           243           244           245 
      1  -0.242106D+01  0.127390D+01  0.461993D+00  0.116645D+00 -0.125621D+00
      2  -0.228979D+01 -0.551521D+00  0.120408D+01 -0.121959D+01 -0.907744D+00
      3   0.234186D+01 -0.272917D+01  0.164073D+01 -0.371819D+01 -0.355825D+01
               246           247           248           249           250 
      1  -0.146140D+01  0.148142D+00 -0.295059D+00 -0.349370D+01 -0.260833D+00
      2   0.204980D+01 -0.129596D+01 -0.392043D+01  0.440420D+01 -0.110302D+01
      3   0.768755D+00 -0.238162D+01 -0.168039D+02  0.366247D+01  0.123576D+01
               251           252           253           254           255 
      1   0.191644D+01  0.540514D+00  0.102106D+00 -0.150966D+00 -0.105861D+01
      2   0.805145D+00 -0.108127D+01 -0.637767D+01 -0.253181D+00 -0.208168D+01
      3   0.443884D+01 -0.885873D+00  0.356369D+01  0.275088D+01  0.130531D+01
               256           257           258           259           260 
      1   0.946406D+00 -0.150630D+01 -0.449471D+01  0.203441D+01 -0.127085D+01
      2   0.399265D+01 -0.137196D+02 -0.153192D+02  0.678114D+01 -0.159513D+02
      3  -0.100338D+02  0.323939D+02  0.152348D+02 -0.555843D+01  0.175652D+02
               261           262           263           264           265 
      1  -0.445786D+01  0.421137D+00 -0.240596D+00 -0.302433D+00 -0.491196D+00
      2  -0.168886D+02  0.885188D+01 -0.173392D+01  0.598586D+00 -0.468328D+01
      3   0.165437D+02  0.991845D+00  0.774851D+00  0.584919D+00 -0.640705D+01
               266           267           268           269           270 
      1   0.859171D+00 -0.285876D+01  0.342977D+01 -0.345326D-01  0.755401D+01
      2   0.845547D+01 -0.125725D+02  0.132355D+02 -0.147461D+02  0.381271D+02
      3   0.135776D+02 -0.890688D+01  0.617790D+01 -0.119359D+02  0.149317D+02
               271           272           273           274           275 
      1  -0.994236D+00 -0.386456D+00  0.560484D+00 -0.215768D+00 -0.528566D+00
      2  -0.640668D+01 -0.781634D+00  0.917303D+01 -0.186074D+01 -0.223077D+01
      3  -0.205888D+02 -0.102736D+02  0.177206D+01 -0.124333D+02 -0.878996D+01
               276           277           278           279 
      1  -0.669348D+00  0.175436D+01  0.251599D+00 -0.343175D-01
      2   0.230031D+01  0.950538D+01 -0.633708D+00 -0.144691D+01
      3   0.262591D+01  0.247914D+01  0.313729D+01 -0.256806D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.919540D+02  0.583816D+02 -0.966517D+01 -0.794775D+02 -0.307333D+01
      2   0.513457D+02 -0.391424D+02  0.669465D+01  0.448629D+02  0.405181D+01
      3   0.406084D+02 -0.192392D+02  0.297052D+01  0.346147D+02 -0.978478D+00
      4   0.555376D+02 -0.406115D+01 -0.207217D+01 -0.795900D+01 -0.470900D+01
      5  -0.184855D+02 -0.404919D+00  0.123365D+01 -0.283249D+01  0.363483D+01
      6   0.177077D+00  0.260799D+01  0.249732D+00  0.235783D+01 -0.325229D+01
                 6             7             8             9            10 
      1   0.261176D+01  0.243980D+02 -0.587143D+01 -0.111913D+02  0.100476D+03
      2  -0.406245D+01 -0.125509D+02  0.242324D+01 -0.284623D+00 -0.479921D+02
      3   0.145069D+01 -0.118471D+02  0.344819D+01  0.114759D+02 -0.524843D+02
      4   0.215764D+01 -0.150383D+01  0.142720D+01  0.648789D+00 -0.149421D+02
      5   0.562307D+00  0.134449D+01 -0.213256D+01  0.821365D+00  0.711500D+01
      6   0.741700D+00  0.157529D+01  0.314122D+01  0.240422D+01 -0.634213D+01
                11            12            13            14            15 
      1  -0.433810D+01 -0.615127D+01  0.825255D+02 -0.366366D+02  0.238344D+01
      2   0.127056D+00  0.340253D+01 -0.406203D+02  0.299320D+02 -0.599425D+01
      3   0.421104D+01  0.274874D+01 -0.419052D+02  0.670457D+01  0.361081D+01
      4   0.822638D+01 -0.270853D+01 -0.188018D+02  0.141303D+02 -0.184745D+01
      5  -0.753098D+01 -0.586869D+01  0.924606D+01 -0.252725D+01  0.634997D+00
      6   0.332196D+01  0.149504D+01 -0.244627D+01 -0.348472D+01 -0.497761D-01
                16            17            18            19            20 
      1  -0.267175D+02  0.747705D+01 -0.800430D+01  0.579267D+02 -0.614051D+02
      2   0.135745D+02 -0.625907D+01 -0.497386D+00 -0.344044D+02  0.468147D+02
      3   0.131430D+02 -0.121799D+01  0.850168D+01 -0.235223D+02  0.145904D+02
      4   0.627360D+01 -0.276195D+01  0.307800D+01 -0.501540D+02  0.203584D+01
      5  -0.131050D+01  0.306073D+01  0.857294D+00  0.200970D+02 -0.111353D+00
      6   0.378537D+01  0.481630D+01  0.205616D+01 -0.362597D+00 -0.312126D+01
                21            22            23            24            25 
      1   0.111231D+02  0.381578D+01  0.335510D+02 -0.823759D+01 -0.449141D+01
      2  -0.897844D+01 -0.125028D+02 -0.341316D+02  0.876916D+01  0.605990D+01
      3  -0.214468D+01  0.868704D+01  0.580581D+00 -0.531567D+00 -0.156848D+01
      4   0.108092D+01  0.206571D+02 -0.518625D+01  0.358776D+01 -0.280821D+01
      5  -0.478938D+01 -0.952213D+01  0.563247D+01  0.561526D+01  0.354831D+01
      6   0.136551D+01  0.798759D+01  0.914421D+01  0.679779D+00  0.108499D+01
                26            27            28            29            30 
      1  -0.375495D+01 -0.650218D+01 -0.316689D+01  0.564157D+01  0.866155D+00
      2   0.790323D+01 -0.823494D+01 -0.107740D+02 -0.805467D+01  0.205914D+00
      3  -0.414827D+01  0.147371D+02  0.139409D+02  0.241310D+01 -0.107207D+01
      4   0.601368D+01  0.216851D+01  0.141325D+02  0.110345D+02 -0.165206D+00
      5   0.863034D+01 -0.260774D+01 -0.177134D+02  0.282369D+01  0.925276D+01
      6   0.409936D+01  0.106795D+01  0.895225D+01  0.644612D-01 -0.240286D+01
                31            32            33            34            35 
      1   0.246135D+02 -0.750860D+02  0.146291D+02 -0.650764D+01  0.165977D+02
      2  -0.175056D+02  0.707305D+02 -0.182810D+02  0.316870D+01 -0.170785D+02
      3  -0.710799D+01  0.435554D+01  0.365196D+01  0.333895D+01  0.480818D+00
      4  -0.411022D+02  0.171114D+00  0.345236D+01  0.191634D+02  0.165024D+01
      5   0.157482D+02  0.246057D+01 -0.161420D+01  0.280752D+02 -0.579292D+01
      6   0.176683D+01 -0.110969D+02  0.102122D+00 -0.567163D+01  0.722990D+01
                36            37            38            39            40 
      1  -0.380330D+01 -0.585647D+01  0.704537D+02 -0.168915D+02 -0.201988D+02
      2  -0.364256D+01 -0.104724D+01 -0.591012D+02  0.103047D+02  0.204975D+02
      3   0.744586D+01  0.690371D+01 -0.113525D+02  0.658676D+01 -0.298696D+00
      4   0.198414D+01  0.814957D+01 -0.183734D+02  0.315609D+01  0.143727D+02
      5  -0.105248D+01 -0.914861D+00 -0.785261D+00  0.438193D+01  0.476119D+01
      6   0.492788D+01 -0.277983D+01  0.719545D+01 -0.116470D+02 -0.130509D+02
                41            42            43            44            45 
      1   0.378884D+02 -0.124930D+02  0.684919D+01 -0.175961D+02 -0.978415D+01
      2  -0.390999D+02  0.112224D+02 -0.139046D+02  0.196739D+02  0.396405D+00
      3   0.121148D+01  0.127060D+01  0.705536D+01 -0.207778D+01  0.938775D+01
      4   0.981900D+01 -0.778465D+01  0.166273D+01 -0.630184D+01 -0.856341D+01
      5  -0.892149D+01 -0.431646D+01  0.192389D+02 -0.595970D+01  0.491565D+01
      6   0.117892D+02  0.236538D+01 -0.191700D+02  0.112957D+02  0.807525D+00
                46            47            48            49            50 
      1   0.932254D+01 -0.529174D+02  0.104718D+02  0.154160D+02  0.484197D+01
      2  -0.688800D+01  0.459173D+02 -0.557226D+01 -0.135218D+02 -0.101539D+02
      3  -0.243453D+01  0.700008D+01 -0.489952D+01 -0.189424D+01  0.531191D+01
      4   0.288926D+01 -0.552084D+01  0.207298D+01  0.278824D+01 -0.965273D+01
      5   0.316915D+00  0.601241D+01 -0.228858D+01  0.110030D+00  0.205586D+01
      6   0.403055D+01 -0.269077D+01  0.850875D+01  0.386054D+01  0.139219D+02
                51            52            53            54            55 
      1  -0.804622D+01 -0.537129D+01 -0.477742D+01 -0.214131D+02  0.173946D+01
      2   0.100938D+02  0.772103D+01  0.149536D+02  0.847321D+01 -0.421123D+01
      3  -0.204762D+01 -0.234974D+01 -0.101762D+02  0.129399D+02  0.247177D+01
      4   0.473194D+01  0.181446D+01  0.707456D+01  0.561810D+01 -0.409579D+02
      5   0.348416D+00  0.450025D+01  0.105845D+01 -0.529915D+00  0.810855D+01
      6   0.349020D+01  0.498150D+01  0.206693D+02 -0.781918D+01  0.383286D+01
                56            57            58            59            60 
      1  -0.566664D+02  0.116444D+02  0.128502D+01  0.264453D+02 -0.115539D+02
      2   0.378022D+02 -0.444102D+01 -0.444246D+01 -0.218514D+02  0.100647D+02
      3   0.188642D+02 -0.720340D+01  0.315744D+01 -0.459384D+01  0.148926D+01
      4  -0.270539D+02  0.664448D+01  0.314243D+02 -0.147430D+02 -0.414134D+00
      5   0.772271D+01 -0.120152D+02 -0.793984D+01 -0.230530D+00 -0.143959D+01
      6  -0.165382D+01  0.693378D+01  0.252539D+01  0.112801D+02  0.203756D+01
                61            62            63            64            65 
      1  -0.148160D+01 -0.845727D+01 -0.186123D+02  0.188105D+01 -0.595333D+00
      2   0.347305D+01  0.150508D+02  0.237670D+01 -0.910095D-01  0.152419D+01
      3  -0.199145D+01 -0.659353D+01  0.162356D+02 -0.179004D+01 -0.928860D+00
      4  -0.523874D+01  0.232921D+01 -0.787803D+01  0.734257D+01  0.899328D+01
      5   0.183469D+01 -0.992731D+01  0.794982D+01 -0.166763D+01 -0.228028D+01
      6   0.184362D+01  0.151631D+02 -0.503043D+01 -0.152360D+01 -0.118182D+01
                66            67            68            69            70 
      1   0.361981D+00 -0.353734D+01 -0.157967D+02  0.421613D+01  0.116881D+01
      2   0.367738D-01  0.499417D+01  0.173990D+02 -0.171046D+01 -0.507863D+00
      3  -0.398755D+00 -0.145683D+01 -0.160222D+01 -0.250567D+01 -0.660947D+00
      4  -0.172559D+01  0.117727D+02  0.168901D+02 -0.355495D+01 -0.279313D+01
      5   0.262181D+01 -0.358474D+01 -0.378254D+01  0.372852D+01  0.203956D+01
      6   0.121810D+01 -0.278636D+01 -0.672693D+01  0.532027D+01  0.235996D+01
                71            72            73            74            75 
      1   0.316402D+01 -0.364218D+01  0.203945D+01  0.574028D+01 -0.103068D+01
      2  -0.259257D+01  0.274980D+01  0.994113D+01 -0.159179D+02  0.171241D+01
      3  -0.571451D+00  0.892384D+00 -0.119806D+02  0.101776D+02 -0.681733D+00
      4  -0.427528D+01  0.258389D+01 -0.279887D+02  0.247054D+02 -0.373143D+01
      5   0.955483D+00 -0.132511D+01  0.401074D+01 -0.383031D+01  0.403462D+01
      6   0.337784D+01 -0.276800D+01 -0.257201D+01  0.292232D+01 -0.385065D+01
                76            77            78            79            80 
      1   0.104527D+02 -0.219724D+02  0.379331D+01 -0.280606D+01  0.451569D+01
      2  -0.221400D+02  0.386257D+02 -0.459466D+01  0.554407D+01 -0.656391D+01
      3   0.116873D+02 -0.166532D+02  0.801353D+00 -0.273801D+01  0.204822D+01
      4   0.274166D+02 -0.346002D+02  0.539894D+01 -0.533667D+01  0.609423D+01
      5  -0.522368D+01  0.558682D+01 -0.443709D+01  0.113415D+01 -0.337263D+01
      6   0.588488D+01 -0.695335D+01  0.703234D+01 -0.613509D-01  0.463619D+01
                81            82            83            84            85 
      1  -0.149290D+01 -0.654084D+01 -0.108827D+02  0.312991D+01 -0.831577D+01
      2   0.286299D+01  0.975874D+01  0.159446D+02 -0.311972D+01  0.112607D+02
      3  -0.137009D+01 -0.321790D+01 -0.506188D+01 -0.101958D-01 -0.294498D+01
      4  -0.369345D+01  0.869791D+01  0.164359D+02 -0.364923D+01  0.970998D+01
      5   0.190250D+01 -0.142893D+01 -0.241762D+01  0.270694D+01 -0.162524D+01
      6  -0.277060D+01 -0.312422D+01 -0.469872D+01  0.372719D+01 -0.326542D+01
                86            87            88            89            90 
      1  -0.490877D+02  0.118604D+02  0.270269D+01  0.127892D+02 -0.474549D+01
      2   0.671267D+02 -0.126907D+02 -0.361791D+01 -0.155892D+02  0.532029D+01
      3  -0.180390D+02  0.830223D+00  0.915218D+00  0.279996D+01 -0.574806D+00
      4   0.218768D+02 -0.449871D+01 -0.305464D+01 -0.527957D+01  0.322935D+01
      5  -0.215546D+01  0.195345D+01  0.102288D+01  0.263827D+01 -0.162115D+01
      6  -0.168967D+02  0.114293D+02  0.760924D+00  0.759682D+01 -0.464715D+01
                91            92            93            94            95 
      1   0.207368D+01  0.546254D+01 -0.126205D+02  0.305916D+00 -0.904143D+01
      2   0.235598D+01 -0.525875D+00  0.941109D+00  0.594719D+01 -0.271717D+01
      3  -0.442966D+01 -0.493667D+01  0.116794D+02 -0.625310D+01  0.117586D+02
      4  -0.389138D+01 -0.187095D+02 -0.296233D+01 -0.222354D+02  0.290617D+02
      5  -0.494622D+00 -0.471696D+01 -0.192495D+02  0.140374D+00 -0.173996D+02
      6  -0.317404D+01  0.511281D+00  0.703250D+00 -0.372039D+01  0.350778D+01
                96            97            98            99           100 
      1  -0.163843D+01  0.107415D+00 -0.258775D+01 -0.180007D+02 -0.737711D+02
      2   0.213899D+01 -0.143720D+02  0.758447D+01  0.173758D+02  0.424830D+02
      3  -0.500561D+00  0.142646D+02 -0.499672D+01  0.624979D+00  0.312882D+02
      4  -0.201164D+02 -0.500291D+01 -0.219301D+02 -0.357261D+01  0.231298D+01
      5  -0.397254D+01 -0.570609D+02  0.265270D+01  0.182506D+02  0.389951D+02
      6   0.250332D+01  0.254136D+01 -0.128154D+01 -0.176707D+01  0.137119D+00
               101           102           103           104           105 
      1  -0.147357D+01  0.276290D+02 -0.831116D+01  0.332476D+02  0.627463D+01
      2   0.473055D+00 -0.805590D+01  0.212246D+01 -0.731762D+01 -0.210851D+01
      3   0.100051D+01 -0.195731D+02  0.618869D+01 -0.259300D+02 -0.416613D+01
      4   0.198822D+02  0.918101D+00  0.185444D+02 -0.265315D+01  0.256051D+02
      5   0.269095D+01  0.879796D+01  0.437699D+01  0.166129D+02  0.429284D+01
      6  -0.121118D+02 -0.144309D+01 -0.717532D+01 -0.242651D+01 -0.203062D+02
               106           107           108           109           110 
      1   0.680852D+01  0.490995D+01  0.175920D+02 -0.572795D+02 -0.212968D+02
      2   0.132990D+02 -0.400387D+01 -0.213438D+02  0.191138D+02  0.616419D+00
      3  -0.201075D+02 -0.906082D+00  0.375182D+01  0.381657D+02  0.206803D+02
      4  -0.437890D+00  0.222265D+02  0.212461D+01 -0.389975D+02 -0.248965D+02
      5   0.362054D+02 -0.266452D+00 -0.288150D+02  0.108025D+02  0.119906D+01
      6  -0.256091D+01 -0.151513D+02 -0.384889D+01  0.145935D+01  0.362395D+01
               111           112           113           114           115 
      1   0.731448D+01 -0.316095D+02 -0.143762D+02  0.103930D+02  0.298087D+02
      2  -0.426059D+01  0.681303D+01  0.158107D+01 -0.510394D+00 -0.101926D+02
      3  -0.305389D+01  0.247964D+02  0.127951D+02 -0.988261D+01 -0.196161D+02
      4   0.460054D+01 -0.150582D+02 -0.241467D+02  0.125801D+02  0.162104D+02
      5  -0.296142D+01  0.157629D+01  0.926055D+01 -0.634547D+01  0.155069D+02
      6  -0.448989D+01  0.424850D+01 -0.173783D+01 -0.130715D+01  0.218940D+01
               116           117           118           119           120 
      1   0.714101D+01  0.164528D+02  0.149415D+02 -0.123255D+02  0.676890D+01
      2  -0.334194D+00 -0.964363D+00 -0.170900D+01  0.246230D+01 -0.188726D+01
      3  -0.680682D+01 -0.154884D+02 -0.132325D+02  0.986317D+01 -0.488165D+01
      4   0.183252D+02  0.350447D+01 -0.244469D+02  0.227333D+02 -0.248376D+01
      5   0.191840D+01  0.331932D+01  0.895323D+01 -0.190841D+01  0.107993D+02
      6  -0.166179D+01 -0.191519D+01 -0.217084D+01  0.125760D+01 -0.119099D+01
               121           122           123           124           125 
      1  -0.187801D+02  0.393302D+01 -0.103272D+01  0.877393D+01  0.175240D+00
      2   0.486547D+01  0.118454D+02 -0.266981D+01 -0.325786D+01 -0.350917D+01
      3   0.139147D+02 -0.157784D+02  0.370253D+01 -0.551607D+01  0.333393D+01
      4   0.232499D+02 -0.441158D+02  0.107633D+02 -0.422244D+01  0.142648D+02
      5  -0.287463D+01  0.978868D+01 -0.106756D+02  0.137796D+02 -0.945355D+01
      6   0.116430D+01 -0.354352D+01  0.428809D+01 -0.265121D+01  0.612646D+01
               126           127           128           129           130 
      1   0.452241D+01 -0.139184D+01  0.836439D+01 -0.112903D+02  0.110385D+02
      2  -0.185712D+01 -0.442618D+00 -0.349786D+01  0.471872D+00 -0.688048D+01
      3  -0.266529D+01  0.183446D+01 -0.486653D+01  0.108184D+02 -0.415803D+01
      4  -0.102094D+02  0.438218D+01 -0.593097D+01  0.246350D+01 -0.361918D+00
      5   0.666959D+01 -0.176419D+01 -0.706133D+00 -0.470115D+01 -0.818893D+01
      6  -0.318972D+01 -0.402236D+01  0.565223D+01 -0.277981D+01  0.166538D+01
               131           132           133           134           135 
      1  -0.171903D+02  0.107703D+02 -0.543607D+01  0.704804D+01 -0.144287D+02
      2   0.572602D+01  0.332621D+01  0.174541D+01  0.187481D+01 -0.234736D+01
      3   0.114643D+02 -0.140966D+02  0.369065D+01 -0.892285D+01  0.167761D+02
      4   0.228149D+02 -0.146938D+02 -0.362872D+00 -0.105656D+02  0.963579D+01
      5  -0.103622D+02  0.159414D+02  0.244466D+01  0.739526D+01 -0.109306D+02
      6  -0.168699D+02  0.134935D+02 -0.143330D+00  0.108690D+02 -0.869927D+01
               136           137           138           139           140 
      1   0.110878D+03 -0.918596D+00 -0.201892D+02  0.227187D+01  0.638216D+01
      2  -0.662556D+02  0.291615D+00  0.185220D+02 -0.244715D+01 -0.455908D+01
      3  -0.446228D+02  0.626982D+00  0.166717D+01  0.175277D+00 -0.182308D+01
      4  -0.581059D+01  0.107946D+02  0.219895D+01  0.141998D+02  0.194131D+00
      5  -0.630128D+02  0.147800D+01  0.292552D+02 -0.228058D+01 -0.744172D+01
      6   0.250748D+01 -0.369295D+01 -0.147438D+01 -0.450568D+01 -0.819455D-01
               141           142           143           144           145 
      1  -0.965551D+00 -0.974440D+01 -0.130671D+01  0.102838D+02 -0.401582D+00
      2   0.131815D+01  0.101945D+02  0.519195D+00 -0.811996D+01 -0.883163D+00
      3  -0.352594D+00 -0.450055D+00  0.787514D+00 -0.216382D+01  0.128474D+01
      4  -0.604499D+01 -0.780218D+00 -0.384765D+01 -0.514513D-01 -0.417093D+01
      5   0.130213D+01  0.195427D+02  0.727918D+00 -0.938968D+01 -0.404409D+01
      6   0.429752D+01 -0.517645D-01  0.289696D+01  0.333218D+00  0.461629D+01
               146           147           148           149           150 
      1  -0.992577D+01 -0.134526D+02 -0.833439D+01 -0.213294D+02 -0.157526D+02
      2   0.430458D+01  0.218506D+01  0.576948D+01  0.101946D+02  0.218179D+00
      3   0.562119D+01  0.112675D+02  0.256492D+01  0.111348D+02  0.155344D+02
      4  -0.465271D+01 -0.220294D+01  0.287882D+01 -0.268257D+02 -0.209198D+02
      5   0.374621D+00 -0.367891D+01  0.823130D+01 -0.163336D+02 -0.208882D+02
      6   0.642758D+01  0.469025D+01  0.178953D-01  0.226692D+02  0.202297D+02
               151           152           153           154           155 
      1  -0.503350D+01 -0.117573D+02 -0.210151D+02  0.140924D+03  0.365892D+02
      2   0.227996D+01 -0.404058D+00 -0.225941D+01 -0.587725D+02 -0.828541D+01
      3   0.275354D+01  0.121614D+02  0.232745D+02 -0.821512D+02 -0.283038D+02
      4   0.282558D+01 -0.147877D+02 -0.154358D+02  0.672372D+02  0.457573D+02
      5   0.370267D+01 -0.135585D+02 -0.202939D+02  0.132608D+01  0.247928D+01
      6  -0.584075D+00  0.155565D+02  0.168946D+02 -0.205491D+01 -0.643523D+00
               156           157           158           159           160 
      1  -0.105939D+02  0.468440D+02  0.302982D+02 -0.541339D+01 -0.119145D+02
      2   0.160749D+01 -0.672097D+01  0.568849D+01 -0.149424D+01  0.216158D+01
      3   0.898640D+01 -0.401230D+02 -0.359867D+02  0.690763D+01  0.975296D+01
      4  -0.190689D+01  0.652615D+02  0.608833D+02 -0.856993D+01 -0.813264D+01
      5   0.284116D+02 -0.196470D+01 -0.371717D+01  0.172775D+02  0.291027D+02
      6   0.728876D+01  0.552171D+00  0.627339D+00  0.868149D+01  0.870989D+01
               161           162           163           164           165 
      1  -0.361303D+01  0.166714D+02  0.302202D+02  0.133160D+02  0.928993D+01
      2  -0.201343D+01 -0.815590D+01 -0.177917D+02 -0.387382D+01 -0.720537D+01
      3   0.562645D+01 -0.851550D+01 -0.124285D+02 -0.944222D+01 -0.208456D+01
      4  -0.121111D+02  0.149597D+02  0.239591D+02  0.137193D+02  0.190623D+01
      5   0.132454D+02 -0.124082D+02  0.188860D+02  0.309946D+01  0.158457D+02
      6   0.761516D+01 -0.243271D+01  0.980405D+01  0.174908D+01  0.570188D+00
               166           167           168           169           170 
      1   0.180097D+02 -0.458111D+01 -0.103378D+02 -0.584032D+01 -0.746463D+01
      2  -0.815678D+01  0.408436D+01  0.320557D+01 -0.186853D+01  0.170872D+01
      3  -0.985292D+01  0.496752D+00  0.713220D+01  0.770886D+01  0.575591D+01
      4   0.162005D+02  0.100457D+02  0.111934D+02 -0.257178D+01  0.223011D+01
      5   0.103302D+02  0.130379D+02  0.120068D+02  0.147710D+02  0.654663D+01
      6   0.352070D+01  0.889726D+01  0.129907D+02  0.113632D+01  0.106139D+02
               171           172           173           174           175 
      1  -0.252729D+02 -0.334209D+02 -0.840965D+01  0.928269D+01 -0.187567D+02
      2  -0.136814D+02  0.157193D+02  0.273108D+01  0.180088D+01  0.101579D+02
      3   0.389542D+02  0.177016D+02  0.567858D+01 -0.110836D+02  0.859880D+01
      4   0.467033D+01 -0.213691D+02 -0.987313D+01 -0.813706D+00 -0.144271D+02
      5   0.410673D+02 -0.126581D+02 -0.424159D+01 -0.101985D+02 -0.946619D+01
      6   0.120574D+02 -0.703278D+01 -0.447542D+01 -0.291314D+01 -0.470386D+01
               176           177           178           179           180 
      1  -0.956095D+01  0.340673D+01  0.174208D+01  0.898295D+00 -0.889116D+01
      2   0.465964D+01  0.246885D+01  0.355637D+01  0.393191D+00  0.135763D+01
      3   0.490131D+01 -0.587558D+01 -0.529845D+01 -0.129149D+01  0.753352D+01
      4  -0.618639D+01  0.888782D+00 -0.425235D+01 -0.370485D+00 -0.412054D+01
      5  -0.531696D+00 -0.844295D+01 -0.455184D+01 -0.186976D+01  0.246703D+01
      6  -0.286803D+01  0.966697D+00 -0.241709D+01  0.123424D+01 -0.167667D+01
               181           182           183           184           185 
      1   0.124816D+01  0.618030D+02 -0.139845D+02 -0.740969D+02  0.354449D+02
      2  -0.195522D+01 -0.412504D+02  0.523775D+01  0.479763D+02 -0.274219D+02
      3   0.707061D+00 -0.205526D+02  0.874680D+01  0.261206D+02 -0.802296D+01
      4   0.368306D+02  0.308652D+02 -0.823420D+01  0.337913D+02  0.237875D+02
      5  -0.510030D+01 -0.102333D+02  0.160803D+02 -0.520692D+00 -0.135610D+02
      6  -0.280256D+01  0.555553D+01 -0.886981D+01 -0.102891D+02  0.900142D+01
               186           187           188           189           190 
      1  -0.494333D+01  0.196789D+02 -0.139700D+02  0.223382D+01  0.156191D+03
      2   0.470189D+01 -0.207594D+02  0.136793D+02 -0.803471D+01 -0.871941D+02
      3   0.241437D+00  0.108046D+01  0.290716D+00  0.580090D+01 -0.689970D+02
      4  -0.133937D+02 -0.606665D+01 -0.154103D+02 -0.113779D+02 -0.218371D+02
      5  -0.405177D+01  0.261896D+02 -0.123376D+02  0.783890D+01  0.764005D+01
      6   0.322863D+01 -0.130180D+02  0.827303D+01  0.149675D+01  0.207870D+01
               191           192           193           194           195 
      1  -0.434975D+02  0.236910D+01  0.204384D+01 -0.296372D+02  0.130915D+02
      2   0.272120D+02 -0.143227D+01 -0.596379D+01  0.285576D+02 -0.137768D+02
      3   0.162855D+02 -0.936822D+00  0.391995D+01  0.107961D+01  0.685311D+00
      4   0.304003D+02 -0.569098D+01 -0.266873D+02 -0.593236D+02  0.149920D+02
      5  -0.689505D+01  0.332494D+01  0.163284D+02  0.154362D+02 -0.468594D+01
      6   0.152527D+00  0.420599D+01  0.603278D+01 -0.930617D+01 -0.556340D+00
               196           197           198           199           200 
      1  -0.415194D+01  0.150625D+02  0.215097D+02 -0.117843D+03  0.120453D+02
      2   0.385337D+01 -0.124564D+02 -0.194628D+02  0.575055D+02 -0.348141D+01
      3   0.298567D+00 -0.260602D+01 -0.204686D+01  0.603374D+02 -0.856386D+01
      4   0.193762D+02  0.950624D+01 -0.617113D+01  0.143032D+02 -0.352899D+02
      5   0.444983D+02 -0.123480D+02  0.174531D+01 -0.410148D+01  0.146043D+02
      6  -0.135962D+01  0.600642D+01  0.383643D+01  0.645487D+01 -0.221448D+01
               201           202           203           204           205 
      1   0.365559D+01  0.923977D+02 -0.149008D+02 -0.525936D+01 -0.150458D+02
      2  -0.260865D+01 -0.573509D+02  0.389607D+00  0.595416D+01  0.120996D+02
      3  -0.104694D+01 -0.350468D+02  0.145112D+02 -0.694801D+00  0.294615D+01
      4   0.105018D+02 -0.119869D+02  0.266713D+02  0.260221D+01  0.485059D+01
      5   0.105187D+01  0.307535D+01  0.159356D+01  0.697731D+01  0.332335D+01
      6  -0.251924D+00  0.510585D+01  0.106129D+02  0.262940D+01  0.218161D+01
               206           207           208           209           210 
      1   0.961324D+00 -0.155851D+02 -0.125468D+02  0.363461D+02 -0.479507D+01
      2   0.710487D+01 -0.680281D+00  0.495323D+01 -0.223417D+02  0.210394D+01
      3  -0.806619D+01  0.162654D+02  0.759361D+01 -0.140044D+02  0.269113D+01
      4   0.958618D+01  0.213370D+02  0.280070D+02  0.446224D+01  0.378849D+01
      5   0.226710D+02 -0.122954D+02 -0.667842D+01  0.434443D+01  0.251491D+02
      6   0.119796D+02 -0.148186D+01  0.788886D+00 -0.862699D+00 -0.555766D+01
               211           212           213           214           215 
      1   0.805349D+01  0.901466D+01 -0.328681D+01  0.661250D+00 -0.351085D+01
      2  -0.148778D+01 -0.283170D+01  0.457737D+01  0.103610D+01  0.326025D+01
      3  -0.656571D+01 -0.618296D+01 -0.129056D+01 -0.169735D+01  0.250598D+00
      4   0.309123D+02  0.133143D+02 -0.537083D+01 -0.569643D+01 -0.597559D+00
      5  -0.637499D+01 -0.452539D+01 -0.894793D+01  0.126358D+02  0.513303D+01
      6  -0.118674D+01  0.180988D+01  0.746772D+01  0.257310D+01  0.295185D+01
               216           217           218           219           220 
      1   0.254315D+01 -0.763311D+02 -0.390952D+02  0.139504D+02 -0.535411D+02
      2  -0.317507D+01  0.449511D+02  0.195550D+02 -0.707856D+01  0.274364D+02
      3   0.631916D+00  0.313800D+02  0.195402D+02 -0.687188D+01  0.261047D+02
      4   0.696597D+01 -0.365765D+02  0.103876D+02  0.230020D+01 -0.158120D+02
      5  -0.288821D+01  0.131459D+02  0.258838D+01 -0.641415D+01  0.720120D+01
      6  -0.222290D+01 -0.133912D+01 -0.862683D+00  0.189164D+01  0.171050D+01
               221           222           223           224           225 
      1   0.914772D+01  0.104236D+02  0.160083D+02  0.785104D+01  0.265382D+01
      2  -0.917491D+01 -0.121670D+02 -0.448069D+01 -0.969154D+01 -0.174054D+01
      3   0.271904D-01  0.174341D+01 -0.115276D+02  0.184050D+01 -0.913282D+00
      4   0.304613D+02  0.201835D+02  0.519619D+01  0.150273D+02  0.395774D+02
      5   0.204220D+02  0.602289D+02 -0.228989D+02  0.432398D+02 -0.378142D+02
      6  -0.808343D+01 -0.175229D+02  0.942048D+01 -0.135456D+02  0.719803D+01
               226           227           228           229           230 
      1  -0.765024D+01 -0.155492D+02  0.439775D+01 -0.764965D+01 -0.442326D+02
      2   0.729465D+01  0.143571D+02 -0.284496D+01  0.725558D+01  0.501275D+02
      3   0.355587D+00  0.119210D+01 -0.155279D+01  0.394066D+00 -0.589491D+01
      4   0.287190D+00  0.528209D+01 -0.876278D+00  0.268624D+01 -0.989935D+01
      5   0.204549D+00 -0.621764D+00  0.896444D+00 -0.914086D-01  0.383899D+01
      6  -0.231793D+01 -0.398974D+01  0.290057D+01 -0.200475D+01 -0.146133D+02
               231           232           233           234           235 
      1   0.109828D+02  0.255669D+01  0.118568D+02 -0.463921D+01  0.328556D+02
      2  -0.899331D+01 -0.225771D+01 -0.115112D+02  0.419202D+01 -0.106985D+02
      3  -0.198952D+01 -0.298982D+00 -0.345594D+00  0.447187D+00 -0.221571D+02
      4   0.265149D+01 -0.102175D+00  0.270809D+01  0.873401D+00 -0.305952D+02
      5  -0.261269D+01  0.145328D+01 -0.405755D+00 -0.194179D-01  0.582346D+01
      6   0.940777D+01  0.621501D+00  0.628830D+01 -0.395830D+01 -0.209093D+01
               236           237           238           239           240 
      1  -0.128272D+02  0.132756D+01 -0.156580D+02  0.424958D+01 -0.892343D+00
      2   0.325159D-01 -0.280259D+00 -0.320322D+01  0.150326D+02 -0.684593D+00
      3   0.127947D+02 -0.104730D+01  0.188612D+02 -0.192822D+02  0.157694D+01
      4   0.248866D+02 -0.356980D+01  0.370542D+02 -0.426565D+02  0.654971D+01
      5  -0.464346D+01  0.401154D+01 -0.883903D+01  0.850898D+01 -0.669079D+01
      6   0.215960D+01 -0.226607D+01  0.533249D+01 -0.632191D+01  0.548909D+01
               241           242           243           244           245 
      1   0.150751D+01 -0.831642D+00 -0.138308D+01  0.521602D+01  0.876196D+01
      2   0.208723D+01 -0.235331D+01  0.170804D+01  0.230937D+01  0.502850D+00
      3  -0.359474D+01  0.318495D+01 -0.324958D+00 -0.752539D+01 -0.926481D+01
      4  -0.779933D+01  0.813995D+01 -0.369742D+01  0.244767D+02  0.225514D+02
      5   0.290961D+00 -0.343211D+01  0.233220D+01 -0.572281D+01 -0.478254D+01
      6  -0.634733D+00  0.306073D+01 -0.199225D+01 -0.284024D+01 -0.262642D+01
               246           247           248           249           250 
      1  -0.212858D+01  0.590755D+01 -0.869837D+01  0.211380D+01 -0.156299D+01
      2   0.745569D+00  0.604563D+01  0.233094D+02 -0.292937D+01 -0.205084D+00
      3   0.138301D+01 -0.119532D+02 -0.146110D+02  0.815573D+00  0.176807D+01
      4  -0.581414D+01  0.298054D+02  0.491468D+02 -0.113424D+02 -0.801750D+01
      5   0.500389D+01 -0.627938D+01 -0.961583D+01  0.861017D+01  0.461000D+01
      6   0.265583D+01 -0.433826D+01 -0.849719D+01  0.749644D+01  0.388094D+01
               251           252           253           254           255 
      1   0.150635D+01 -0.105528D+01  0.317067D+01 -0.784027D+01 -0.125034D+02
      2  -0.413610D+01  0.240063D+01 -0.621605D+00  0.438332D+01  0.614336D+01
      3   0.262975D+01 -0.134536D+01 -0.254907D+01  0.345695D+01  0.636004D+01
      4  -0.129449D+02  0.559676D+01 -0.513064D+01 -0.777709D-01  0.235302D+01
      5   0.355981D+01 -0.337153D+01 -0.113100D+02  0.142669D+01 -0.272655D+01
      6   0.441289D+01 -0.374047D+01  0.324393D+01  0.671747D+00  0.181531D+01
               256           257           258           259           260 
      1  -0.173698D+02  0.889577D+00 -0.146259D+01 -0.275707D+02  0.171930D+01
      2   0.446644D+01  0.120580D+02  0.552943D+01  0.124058D+02  0.316214D+01
      3   0.129033D+02 -0.129475D+02 -0.406684D+01  0.151649D+02 -0.488144D+01
      4   0.312618D+02 -0.546283D+02 -0.282669D+02  0.193663D+02 -0.303803D+02
      5   0.131335D+02 -0.289977D+02 -0.300495D+02  0.211269D+02 -0.304939D+02
      6  -0.634028D+01  0.135968D+02  0.122544D+02 -0.763580D+01  0.130897D+02
               261           262           263           264           265 
      1  -0.156705D+01  0.119779D+02 -0.303601D+01  0.149371D+02 -0.519827D+01
      2  -0.233159D+00 -0.755929D+01  0.188040D+01 -0.689173D+01  0.145133D+01
      3   0.180021D+01 -0.441865D+01  0.115560D+01 -0.804540D+01  0.374694D+01
      4  -0.283322D+02 -0.282147D+01  0.510042D-01 -0.568927D+01  0.183623D+02
      5  -0.327941D+02  0.162314D+02 -0.486257D+01  0.471715D+01 -0.129114D+02
      6   0.122990D+02 -0.370920D+01  0.966260D+00 -0.117892D-01  0.396373D+01
               266           267           268           269           270 
      1   0.308558D+01 -0.380203D+01  0.388628D+02 -0.812689D+01  0.699123D+01
      2   0.921825D+00  0.113057D+01 -0.237539D+02  0.436897D+01 -0.134325D+02
      3  -0.400741D+01  0.267146D+01 -0.151089D+02  0.375792D+01  0.644125D+01
      4  -0.215936D+02  0.160618D+02 -0.211277D+02  0.201877D+02 -0.247455D+02
      5   0.168370D+02 -0.249005D+02  0.393303D+02 -0.279202D+02  0.738309D+02
      6  -0.583224D+01  0.101654D+02 -0.892831D+01  0.104678D+02 -0.164396D+02
               271           272           273           274           275 
      1   0.194332D+03  0.180289D+02 -0.138638D+02  0.568868D+02  0.207294D+02
      2  -0.103070D+03 -0.104268D+02  0.786122D+01 -0.310443D+02 -0.106786D+02
      3  -0.912618D+02 -0.760208D+01  0.600262D+01 -0.258425D+02 -0.100508D+02
      4   0.145953D+02  0.153133D+02 -0.854208D+00  0.240272D+02  0.151029D+02
      5  -0.145397D+02 -0.103679D+01  0.178103D+02 -0.373921D+01 -0.460398D+01
      6   0.217590D+01 -0.134276D-01 -0.107082D+01  0.135596D+00  0.569392D+00
               276           277           278           279 
      1  -0.438933D+01 -0.226387D+02 -0.260386D+01  0.192453D+02
      2   0.306093D+01  0.127891D+02  0.227936D+01 -0.113956D+02
      3   0.132840D+01  0.984962D+01  0.324500D+00 -0.784973D+01
      4  -0.456186D+01 -0.143120D+01 -0.522663D+01 -0.707480D+00
      5   0.459118D+01  0.265150D+02 -0.711536D+00 -0.379160D+01
      6   0.144862D+01 -0.130767D+01  0.224977D+01 -0.144199D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 13:51:43 2021, MaxMem=  5637144576 cpu:           71142.4 elap:            9005.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50740 -19.50473 -19.45192 -10.57990 -10.51999
 Alpha  occ. eigenvalues --  -10.50509 -10.47455 -10.47009 -10.46863 -10.46484
 Alpha  occ. eigenvalues --  -10.46425 -10.46280 -10.46226 -10.46197 -10.45964
 Alpha  occ. eigenvalues --  -10.44924 -10.43859  -1.23474  -1.20744  -1.14412
 Alpha  occ. eigenvalues --   -1.03398  -0.98779  -0.94130  -0.92360  -0.88197
 Alpha  occ. eigenvalues --   -0.87891  -0.82936  -0.79265  -0.77124  -0.74242
 Alpha  occ. eigenvalues --   -0.74148  -0.72556  -0.67142  -0.66106  -0.65134
 Alpha  occ. eigenvalues --   -0.63018  -0.60847  -0.60266  -0.58414  -0.58169
 Alpha  occ. eigenvalues --   -0.57492  -0.56925  -0.54968  -0.54723  -0.54171
 Alpha  occ. eigenvalues --   -0.53456  -0.53044  -0.51583  -0.50450  -0.48892
 Alpha  occ. eigenvalues --   -0.47810  -0.47706  -0.46573  -0.45679  -0.44255
 Alpha  occ. eigenvalues --   -0.43834  -0.43219  -0.40474  -0.38793  -0.34526
 Alpha  occ. eigenvalues --   -0.30891
 Alpha virt. eigenvalues --    0.00516   0.03349   0.03870   0.04228   0.04986
 Alpha virt. eigenvalues --    0.05961   0.06505   0.07030   0.07710   0.08246
 Alpha virt. eigenvalues --    0.08661   0.08918   0.09864   0.10189   0.10733
 Alpha virt. eigenvalues --    0.11988   0.12572   0.13322   0.13394   0.13462
 Alpha virt. eigenvalues --    0.14949   0.15704   0.15880   0.16123   0.16501
 Alpha virt. eigenvalues --    0.16882   0.18128   0.18882   0.18981   0.19755
 Alpha virt. eigenvalues --    0.20026   0.20089   0.20557   0.21228   0.22092
 Alpha virt. eigenvalues --    0.22498   0.23499   0.23708   0.23975   0.24684
 Alpha virt. eigenvalues --    0.24996   0.25908   0.26270   0.26513   0.27262
 Alpha virt. eigenvalues --    0.27516   0.27763   0.28675   0.29213   0.29565
 Alpha virt. eigenvalues --    0.29697   0.30389   0.30623   0.31173   0.31520
 Alpha virt. eigenvalues --    0.31797   0.32083   0.32783   0.33158   0.33412
 Alpha virt. eigenvalues --    0.34146   0.34470   0.34818   0.34939   0.35316
 Alpha virt. eigenvalues --    0.35850   0.36254   0.36934   0.37060   0.37111
 Alpha virt. eigenvalues --    0.37422   0.37566   0.38449   0.38989   0.39506
 Alpha virt. eigenvalues --    0.39551   0.39884   0.40091   0.40193   0.40451
 Alpha virt. eigenvalues --    0.40889   0.41098   0.41476   0.42044   0.42495
 Alpha virt. eigenvalues --    0.42727   0.43099   0.43357   0.43481   0.43811
 Alpha virt. eigenvalues --    0.44255   0.44308   0.44391   0.44801   0.45740
 Alpha virt. eigenvalues --    0.46052   0.46231   0.46683   0.46709   0.47275
 Alpha virt. eigenvalues --    0.47411   0.48028   0.48530   0.48872   0.49162
 Alpha virt. eigenvalues --    0.49785   0.50015   0.50585   0.51426   0.51643
 Alpha virt. eigenvalues --    0.51956   0.52150   0.53024   0.53506   0.53877
 Alpha virt. eigenvalues --    0.54520   0.54736   0.55358   0.55447   0.55803
 Alpha virt. eigenvalues --    0.56178   0.56662   0.56861   0.57108   0.57791
 Alpha virt. eigenvalues --    0.58092   0.58534   0.58835   0.58980   0.60040
 Alpha virt. eigenvalues --    0.60090   0.60683   0.61407   0.62181   0.62693
 Alpha virt. eigenvalues --    0.63246   0.63569   0.64266   0.64922   0.65077
 Alpha virt. eigenvalues --    0.65497   0.65825   0.66400   0.66612   0.67067
 Alpha virt. eigenvalues --    0.67639   0.69085   0.70173   0.70491   0.70827
 Alpha virt. eigenvalues --    0.71300   0.72287   0.72637   0.73249   0.73584
 Alpha virt. eigenvalues --    0.73866   0.74402   0.74997   0.75502   0.75942
 Alpha virt. eigenvalues --    0.76661   0.76949   0.77181   0.77544   0.78015
 Alpha virt. eigenvalues --    0.78817   0.79673   0.80220   0.80722   0.81414
 Alpha virt. eigenvalues --    0.81550   0.82917   0.83415   0.83451   0.85143
 Alpha virt. eigenvalues --    0.85368   0.86463   0.86877   0.88574   0.88777
 Alpha virt. eigenvalues --    0.89662   0.90044   0.90331   0.91951   0.92715
 Alpha virt. eigenvalues --    0.94026   0.94339   0.95373   0.95633   0.98038
 Alpha virt. eigenvalues --    0.98330   0.99489   0.99933   1.00173   1.01553
 Alpha virt. eigenvalues --    1.01932   1.03616   1.04820   1.05135   1.05555
 Alpha virt. eigenvalues --    1.05763   1.06733   1.07689   1.08365   1.08754
 Alpha virt. eigenvalues --    1.09228   1.09885   1.10062   1.10968   1.11460
 Alpha virt. eigenvalues --    1.12536   1.13281   1.13596   1.14866   1.15559
 Alpha virt. eigenvalues --    1.16826   1.17080   1.18953   1.20259   1.21555
 Alpha virt. eigenvalues --    1.22480   1.23110   1.23792   1.24507   1.24660
 Alpha virt. eigenvalues --    1.25072   1.25528   1.26073   1.27409   1.28545
 Alpha virt. eigenvalues --    1.30457   1.31347   1.32354   1.33307   1.34754
 Alpha virt. eigenvalues --    1.35065   1.35409   1.36337   1.36927   1.40189
 Alpha virt. eigenvalues --    1.40825   1.41206   1.41818   1.42842   1.44087
 Alpha virt. eigenvalues --    1.45569   1.46378   1.47456   1.50161   1.52338
 Alpha virt. eigenvalues --    1.53245   1.53708   1.54656   1.56944   1.58120
 Alpha virt. eigenvalues --    1.58758   1.59077   1.61546   1.62102   1.64018
 Alpha virt. eigenvalues --    1.64953   1.66417   1.67326   1.68784   1.69212
 Alpha virt. eigenvalues --    1.70183   1.71537   1.73510   1.74658   1.75180
 Alpha virt. eigenvalues --    1.75903   1.76448   1.77231   1.77363   1.78668
 Alpha virt. eigenvalues --    1.80477   1.81082   1.81595   1.82965   1.84165
 Alpha virt. eigenvalues --    1.85322   1.87786   1.88526   1.89189   1.90665
 Alpha virt. eigenvalues --    1.91343   1.92065   1.93237   1.94175   1.95150
 Alpha virt. eigenvalues --    1.96070   1.96689   1.98297   1.98736   2.00014
 Alpha virt. eigenvalues --    2.00498   2.01734   2.03386   2.03899   2.05034
 Alpha virt. eigenvalues --    2.05899   2.06623   2.07444   2.07611   2.09499
 Alpha virt. eigenvalues --    2.09914   2.11162   2.12819   2.13413   2.13719
 Alpha virt. eigenvalues --    2.13974   2.14718   2.15809   2.17177   2.17335
 Alpha virt. eigenvalues --    2.17647   2.18767   2.20340   2.21792   2.22458
 Alpha virt. eigenvalues --    2.23307   2.25491   2.27307   2.28860   2.29261
 Alpha virt. eigenvalues --    2.31061   2.32808   2.33566   2.35222   2.35878
 Alpha virt. eigenvalues --    2.37960   2.39172   2.40039   2.40374   2.41070
 Alpha virt. eigenvalues --    2.43343   2.44919   2.45339   2.47420   2.49544
 Alpha virt. eigenvalues --    2.50184   2.51869   2.52879   2.54180   2.54339
 Alpha virt. eigenvalues --    2.57114   2.57360   2.58931   2.59951   2.62304
 Alpha virt. eigenvalues --    2.62876   2.63771   2.64167   2.66115   2.67279
 Alpha virt. eigenvalues --    2.71921   2.73228   2.75907   2.77879   2.79345
 Alpha virt. eigenvalues --    2.84323   2.87329   2.88733   2.93296   2.93894
 Alpha virt. eigenvalues --    2.97310   2.98984   2.99510   3.00056   3.00751
 Alpha virt. eigenvalues --    3.03560   3.03685   3.04910   3.05871   3.06513
 Alpha virt. eigenvalues --    3.09471   3.10196   3.11573   3.16382   3.16693
 Alpha virt. eigenvalues --    3.17414   3.18876   3.19664   3.22090   3.24721
 Alpha virt. eigenvalues --    3.25686   3.27810   3.28057   3.28417   3.33125
 Alpha virt. eigenvalues --    3.35824   3.38270   3.53397   3.54827   3.63295
 Alpha virt. eigenvalues --    3.65846   3.70938   3.85881   3.90019   4.03075
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.563315  -1.850430  -2.275887   0.172469  -0.692784   0.073853
     2  C   -1.850430  13.873671   0.487966  -1.324752   0.333129  -1.858259
     3  C   -2.275887   0.487966  11.944653  -2.301715  -0.198204  -0.475720
     4  C    0.172469  -1.324752  -2.301715  14.991001  -1.317550   0.827571
     5  C   -0.692784   0.333129  -0.198204  -1.317550  11.173345  -1.051438
     6  C    0.073853  -1.858259  -0.475720   0.827571  -1.051438  10.037608
     7  C   -1.469140  -1.134195  -0.819203   0.273510   0.122240   0.335766
     8  H   -0.826623   0.106147   0.066361  -2.087492   0.036432   0.229405
     9  H    0.290174   0.059544   0.139140  -1.874753  -0.145196  -0.856122
    10  H    0.067650  -1.054664   0.226821   0.108175  -0.927551  -0.387006
    11  C    0.028498   0.142986  -0.571104  -0.158700  -0.922693   0.054017
    12  C   -0.003954   0.002852  -0.109567   0.122951  -0.014714   0.006432
    13  C   -0.033412  -0.014081  -0.200705   0.452219  -0.091853   0.003705
    14  H    0.029116   0.016718   0.233373  -0.587010  -0.151411   0.013962
    15  H    0.000663   0.001940   0.026434  -0.094936   0.014411   0.000639
    16  H   -0.001025  -0.000470  -0.021892   0.028070  -0.024244   0.000242
    17  H    0.003651   0.000619   0.038433  -0.105590   0.070287  -0.006291
    18  O    0.001856   0.000707   0.054537  -0.061352   0.031667  -0.000647
    19  O    0.016792  -0.005093  -0.047921  -0.011986   0.038296  -0.001228
    20  H    0.006213   0.005185   0.020765  -0.094588  -0.020849   0.000761
    21  C    0.600471  -0.468466   0.114172  -0.010398   0.006343   0.004136
    22  C   -0.708216  -0.071960   0.059898   0.012637   0.023279   0.245411
    23  C   -0.399878  -0.897193   0.055766   0.131343   0.078073  -1.018953
    24  O   -0.009924   0.082319   0.000021  -0.002584  -0.001329  -0.015612
    25  C    0.005310  -0.002117  -0.000158  -0.000139   0.000024   0.000350
    26  H   -0.203393   0.065808  -0.228899  -0.000507  -0.012604  -0.031738
    27  H    0.056746   0.171911   0.021622  -0.000017  -0.000512  -0.002712
    28  H    0.012105  -0.051390   0.004553  -0.016294   0.043704  -0.047425
    29  H    0.000680  -0.001749  -0.000038  -0.000005   0.000004  -0.000102
    30  H    0.000572  -0.001604  -0.000009  -0.000005   0.000005  -0.000143
    31  H   -0.001361   0.000239   0.000026  -0.000001  -0.000001   0.000047
               7          8          9         10         11         12
     1  C   -1.469140  -0.826623   0.290174   0.067650   0.028498  -0.003954
     2  C   -1.134195   0.106147   0.059544  -1.054664   0.142986   0.002852
     3  C   -0.819203   0.066361   0.139140   0.226821  -0.571104  -0.109567
     4  C    0.273510  -2.087492  -1.874753   0.108175  -0.158700   0.122951
     5  C    0.122240   0.036432  -0.145196  -0.927551  -0.922693  -0.014714
     6  C    0.335766   0.229405  -0.856122  -0.387006   0.054017   0.006432
     7  C   10.757652  -0.281920  -0.008663  -0.006043  -0.007069   0.001204
     8  H   -0.281920   4.047898   0.069340  -0.025442  -0.259059  -0.023520
     9  H   -0.008663   0.069340   4.299700  -0.956255  -0.472031  -0.051375
    10  H   -0.006043  -0.025442  -0.956255   3.866198   0.028659   0.000834
    11  C   -0.007069  -0.259059  -0.472031   0.028659   7.925505   0.451619
    12  C    0.001204  -0.023520  -0.051375   0.000834   0.451619   4.346804
    13  C   -0.000003  -0.097199  -0.045853   0.000421  -0.421534  -0.003893
    14  H    0.000297   0.045959   0.096944  -0.002802  -0.008302  -0.232193
    15  H    0.000255   0.023517   0.003647   0.000068   0.038284   0.252053
    16  H   -0.000118  -0.004460  -0.008930   0.000063   0.158981   0.266860
    17  H    0.000375   0.005395   0.037463  -0.001101   0.104600   0.180140
    18  O   -0.000064   0.004741   0.006909  -0.000106  -0.088612  -0.027497
    19  O    0.001313   0.014777   0.001267  -0.000413  -0.027404   0.013133
    20  H    0.001303  -0.010788   0.006433   0.000229  -0.040646  -0.001386
    21  C   -0.373661   0.040386   0.000163  -0.017115   0.000205   0.000070
    22  C    0.649708  -0.011190  -0.003816   0.046411  -0.000611  -0.000202
    23  C   -0.677242  -0.027859   0.025126  -0.348445  -0.000734  -0.000095
    24  O   -0.036416   0.000454   0.000146  -0.000460   0.000040   0.000003
    25  C    0.022545  -0.000030  -0.000003   0.000049  -0.000002  -0.000000
    26  H   -0.876892  -0.266285   0.000460   0.001158   0.002941   0.001054
    27  H   -0.429772   0.000265   0.000008   0.000279   0.000021  -0.000008
    28  H    0.096837   0.003188  -0.001618  -0.109199  -0.000103  -0.000017
    29  H   -0.001061  -0.000003  -0.000000  -0.000008  -0.000000  -0.000000
    30  H   -0.001847  -0.000001  -0.000000  -0.000010  -0.000000   0.000000
    31  H    0.000387   0.000000   0.000000   0.000002   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.033412   0.029116   0.000663  -0.001025   0.003651   0.001856
     2  C   -0.014081   0.016718   0.001940  -0.000470   0.000619   0.000707
     3  C   -0.200705   0.233373   0.026434  -0.021892   0.038433   0.054537
     4  C    0.452219  -0.587010  -0.094936   0.028070  -0.105590  -0.061352
     5  C   -0.091853  -0.151411   0.014411  -0.024244   0.070287   0.031667
     6  C    0.003705   0.013962   0.000639   0.000242  -0.006291  -0.000647
     7  C   -0.000003   0.000297   0.000255  -0.000118   0.000375  -0.000064
     8  H   -0.097199   0.045959   0.023517  -0.004460   0.005395   0.004741
     9  H   -0.045853   0.096944   0.003647  -0.008930   0.037463   0.006909
    10  H    0.000421  -0.002802   0.000068   0.000063  -0.001101  -0.000106
    11  C   -0.421534  -0.008302   0.038284   0.158981   0.104600  -0.088612
    12  C   -0.003893  -0.232193   0.252053   0.266860   0.180140  -0.027497
    13  C    6.089509  -0.165921   0.044188  -0.050916  -0.008430   0.289545
    14  H   -0.165921   1.437666   0.002159   0.013354  -0.025044  -0.002267
    15  H    0.044188   0.002159   0.728697  -0.052172   0.009361  -0.008825
    16  H   -0.050916   0.013354  -0.052172   0.687990  -0.071591  -0.017337
    17  H   -0.008430  -0.025044   0.009361  -0.071591   0.743731   0.013620
    18  O    0.289545  -0.002267  -0.008825  -0.017337   0.013620   7.964643
    19  O    0.026557  -0.012522  -0.006932   0.005987  -0.000167   0.045458
    20  H    0.106475   0.018432   0.000578  -0.000928  -0.000046  -0.011520
    21  C   -0.000438  -0.000006  -0.000053  -0.000001   0.000014   0.000068
    22  C    0.000465  -0.000049   0.000016   0.000003  -0.000040  -0.000034
    23  C   -0.001027   0.000394  -0.000030  -0.000013   0.000140   0.000088
    24  O   -0.000012   0.000001  -0.000001   0.000000   0.000001   0.000000
    25  C    0.000001  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    26  H   -0.000547   0.000042  -0.000065  -0.000027   0.000121   0.000062
    27  H    0.000009   0.000000  -0.000003   0.000000  -0.000001  -0.000000
    28  H   -0.000055   0.000009  -0.000003  -0.000000   0.000002   0.000003
    29  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    31  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.016792   0.006213   0.600471  -0.708216  -0.399878  -0.009924
     2  C   -0.005093   0.005185  -0.468466  -0.071960  -0.897193   0.082319
     3  C   -0.047921   0.020765   0.114172   0.059898   0.055766   0.000021
     4  C   -0.011986  -0.094588  -0.010398   0.012637   0.131343  -0.002584
     5  C    0.038296  -0.020849   0.006343   0.023279   0.078073  -0.001329
     6  C   -0.001228   0.000761   0.004136   0.245411  -1.018953  -0.015612
     7  C    0.001313   0.001303  -0.373661   0.649708  -0.677242  -0.036416
     8  H    0.014777  -0.010788   0.040386  -0.011190  -0.027859   0.000454
     9  H    0.001267   0.006433   0.000163  -0.003816   0.025126   0.000146
    10  H   -0.000413   0.000229  -0.017115   0.046411  -0.348445  -0.000460
    11  C   -0.027404  -0.040646   0.000205  -0.000611  -0.000734   0.000040
    12  C    0.013133  -0.001386   0.000070  -0.000202  -0.000095   0.000003
    13  C    0.026557   0.106475  -0.000438   0.000465  -0.001027  -0.000012
    14  H   -0.012522   0.018432  -0.000006  -0.000049   0.000394   0.000001
    15  H   -0.006932   0.000578  -0.000053   0.000016  -0.000030  -0.000001
    16  H    0.005987  -0.000928  -0.000001   0.000003  -0.000013   0.000000
    17  H   -0.000167  -0.000046   0.000014  -0.000040   0.000140   0.000001
    18  O    0.045458  -0.011520   0.000068  -0.000034   0.000088   0.000000
    19  O    7.999664   0.170441  -0.000008  -0.000153  -0.000074   0.000006
    20  H    0.170441   0.571935   0.000000  -0.000060   0.000254  -0.000004
    21  C   -0.000008   0.000000   8.125790  -1.483439  -0.235605   0.087290
    22  C   -0.000153  -0.000060  -1.483439   9.417355  -0.746985   0.155870
    23  C   -0.000074   0.000254  -0.235605  -0.746985  10.750039   0.055407
    24  O    0.000006  -0.000004   0.087290   0.155870   0.055407   8.296384
    25  C   -0.000001  -0.000000  -0.069610   0.082160  -0.004012   0.180274
    26  H   -0.000094   0.000483  -0.568453   0.111322   0.121339   0.013230
    27  H   -0.000016  -0.000001  -0.385791  -0.733951   0.026903  -0.246748
    28  H   -0.000014   0.000014   0.168375  -0.965409  -0.751620   0.061816
    29  H   -0.000000  -0.000000   0.012577  -0.033826   0.007298   0.072471
    30  H   -0.000000  -0.000000   0.014452  -0.037897   0.009101   0.072761
    31  H   -0.000000   0.000000   0.040825   0.040151   0.002496  -0.195889
              25         26         27         28         29         30
     1  C    0.005310  -0.203393   0.056746   0.012105   0.000680   0.000572
     2  C   -0.002117   0.065808   0.171911  -0.051390  -0.001749  -0.001604
     3  C   -0.000158  -0.228899   0.021622   0.004553  -0.000038  -0.000009
     4  C   -0.000139  -0.000507  -0.000017  -0.016294  -0.000005  -0.000005
     5  C    0.000024  -0.012604  -0.000512   0.043704   0.000004   0.000005
     6  C    0.000350  -0.031738  -0.002712  -0.047425  -0.000102  -0.000143
     7  C    0.022545  -0.876892  -0.429772   0.096837  -0.001061  -0.001847
     8  H   -0.000030  -0.266285   0.000265   0.003188  -0.000003  -0.000001
     9  H   -0.000003   0.000460   0.000008  -0.001618  -0.000000  -0.000000
    10  H    0.000049   0.001158   0.000279  -0.109199  -0.000008  -0.000010
    11  C   -0.000002   0.002941   0.000021  -0.000103  -0.000000  -0.000000
    12  C   -0.000000   0.001054  -0.000008  -0.000017  -0.000000   0.000000
    13  C    0.000001  -0.000547   0.000009  -0.000055   0.000000   0.000000
    14  H   -0.000000   0.000042   0.000000   0.000009  -0.000000  -0.000000
    15  H   -0.000000  -0.000065  -0.000003  -0.000003  -0.000000  -0.000000
    16  H    0.000000  -0.000027   0.000000  -0.000000   0.000000   0.000000
    17  H   -0.000000   0.000121  -0.000001   0.000002  -0.000000  -0.000000
    18  O   -0.000000   0.000062  -0.000000   0.000003  -0.000000  -0.000000
    19  O   -0.000001  -0.000094  -0.000016  -0.000014  -0.000000  -0.000000
    20  H   -0.000000   0.000483  -0.000001   0.000014  -0.000000  -0.000000
    21  C   -0.069610  -0.568453  -0.385791   0.168375   0.012577   0.014452
    22  C    0.082160   0.111322  -0.733951  -0.965409  -0.033826  -0.037897
    23  C   -0.004012   0.121339   0.026903  -0.751620   0.007298   0.009101
    24  O    0.180274   0.013230  -0.246748   0.061816   0.072471   0.072761
    25  C    4.195622   0.000931  -0.057156  -0.017389   0.247602   0.245961
    26  H    0.000931   2.812080  -0.147057  -0.013842  -0.000784  -0.000848
    27  H   -0.057156  -0.147057   2.703854   0.015797  -0.033087  -0.031588
    28  H   -0.017389  -0.013842   0.015797   2.399574   0.002477   0.002734
    29  H    0.247602  -0.000784  -0.033087   0.002477   0.692244   0.031934
    30  H    0.245961  -0.000848  -0.031588   0.002734   0.031934   0.692935
    31  H    0.465717  -0.000090   0.053230  -0.002654  -0.180026  -0.179948
              31
     1  C   -0.001361
     2  C    0.000239
     3  C    0.000026
     4  C   -0.000001
     5  C   -0.000001
     6  C    0.000047
     7  C    0.000387
     8  H    0.000000
     9  H    0.000000
    10  H    0.000002
    11  C    0.000000
    12  C   -0.000000
    13  C    0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H   -0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H    0.000000
    21  C    0.040825
    22  C    0.040151
    23  C    0.002496
    24  O   -0.195889
    25  C    0.465717
    26  H   -0.000090
    27  H    0.053230
    28  H   -0.002654
    29  H   -0.180026
    30  H   -0.179948
    31  H    1.405366
 Mulliken charges:
               1
     1  C   -0.454107
     2  C   -0.615316
     3  C   -0.243519
     4  C   -1.069570
     5  C   -0.398306
     6  C   -0.080509
     7  C   -0.140085
     8  H    0.227607
     9  H    0.388149
    10  H    0.489604
    11  C    0.042247
    12  C    0.822414
    13  C    0.122783
    14  H    0.279099
    15  H    0.016111
    16  H    0.092579
    17  H    0.010347
    18  O   -0.195645
    19  O   -0.219661
    20  H    0.271315
    21  C    0.397706
    22  C   -0.046848
    23  C   -0.154000
    24  O   -0.569513
    25  C    0.704072
    26  H    0.221093
    27  H    0.017776
    28  H    0.165844
    29  H    0.183403
    30  H    0.183447
    31  H   -0.448514
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.454107
     2  C   -0.615316
     3  C   -0.015913
     4  C   -1.069570
     5  C   -0.010157
     6  C    0.409094
     7  C    0.081008
    11  C    0.321346
    12  C    0.941450
    13  C    0.122783
    18  O   -0.195645
    19  O    0.051654
    21  C    0.415483
    22  C   -0.046848
    23  C    0.011844
    24  O   -0.569513
    25  C    0.622407
 Electronic spatial extent (au):  <R**2>=           5466.3591
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1221    Y=              1.5420    Z=              1.0563  Tot=              5.4525
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -108.0832   YY=            -94.8593   ZZ=           -103.3241
   XY=            -21.8773   XZ=             -3.9295   YZ=             -5.0312
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9943   YY=              7.2296   ZZ=             -1.2352
   XY=            -21.8773   XZ=             -3.9295   YZ=             -5.0312
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            213.1251  YYY=              5.1643  ZZZ=             -4.0745  XYY=             22.8771
  XXY=             25.4894  XXZ=             25.1628  XZZ=             -1.5342  YZZ=             -0.6137
  YYZ=             -0.2311  XYZ=              6.4528
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5931.3824 YYYY=           -780.0316 ZZZZ=           -443.1583 XXXY=           -500.0705
 XXXZ=            -50.9183 YYYX=            -13.5143 YYYZ=            -22.5823 ZZZX=             -2.6047
 ZZZY=              1.2816 XXYY=          -1155.3059 XXZZ=          -1090.0044 YYZZ=           -221.4247
 XXYZ=            -38.7770 YYXZ=             -7.6437 ZZXY=             -7.9530
 N-N= 1.134464895729D+03 E-N=-4.050171565507D+03  KE= 7.579149032566D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 13:51:44 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.9889    3.9902       -8.2692   -8.2746
 2     -3.9889   -3.9902        5.5827    5.5827      -58.9305  -58.9338
 3      8.2692    8.2746       85.7332   85.7252       -5.5769   -5.5827
 4     -5.5827   -5.5827        0.0000    0.0000        8.2696    8.2746
 5    -26.8027  -26.7914       -8.2696   -8.2746        3.9919    3.9902
 6      5.5769    5.5827       -3.9919   -3.9902        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -11.9706  -11.9706      -24.8239  -24.8239
 2    -16.7480  -16.7480        0.0000    0.0000      -24.8239  -24.8239
 3    -16.7480  -16.7480      -11.9706  -11.9706        0.0000    0.0000
 4    -11.9706  -11.9706       16.7480   16.7480     -176.8013 -176.8013
 5     24.8239   24.8239      257.1756  257.1756      -16.7480  -16.7480
 6    -80.3743  -80.3743      -24.8239  -24.8239       11.9706   11.9706
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0635    0.0000      -15.4616  -15.9608       33.0945   33.0985
 2     15.3189   15.9608      -21.6283  -22.3307      235.7249  235.7350
 3    -33.2663  -33.0985     -342.7161 -342.9008       22.1343   22.3307
 4     21.4539   22.3307        0.3148    0.0000      -33.1289  -33.0985
 5    107.1056  107.1658       33.3951   33.0985      -15.9337  -15.9608
 6    -22.4080  -22.3307       16.3625   15.9608        0.0627    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0837    0.0000      124.4745  123.9140      -18.6430  -18.7092
 2   -123.4904 -123.9140      -81.7726  -80.7646       19.8639   19.9227
 3     19.5082   18.7092       49.5750   49.3999       79.4016   80.7646
 4     80.5372   80.7646        0.0417    0.0000       18.7748   18.7092
 5    -69.9460  -69.3225      -17.2134  -18.7092      123.6527  123.9140
 6    -80.4198  -80.7646     -124.0333 -123.9140        0.0236    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.9936    4.9721      100.4960  101.2152       62.0709   61.6813
 2    148.5562  148.9647      217.5297  217.8581       62.1898   61.6813
 3    148.6008  148.9647      100.8513  101.2152       65.9527   65.3267
 4   -116.5758 -116.6429     -144.1842 -143.9926       32.9893   32.7932
 5      4.1424    3.6454       85.6254   86.1746      143.0693  143.9926
 6   -119.9758 -118.9677       -1.7083   -3.6454      116.3186  116.6429
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.1898                 3.4055                 1.4137
  Dep-P Fr= 1--      0.7471                 0.7471                 0.7458
  Dep-U Fr= 1--      0.8552                 0.8552                 0.8544
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0001
 Beta2  Fr= 1--      0.5972                 0.4854                 0.2013
 AlphaG Fr= 1--      0.0000                 0.0049                -0.0006
 Gamma2 Fr= 1--      1.2386                -0.5326                 1.2135
 Delta2 Fr= 1--      1.2949                -0.7460                 0.2102
 Raman1 Fr= 1--      16.759                 13.622                  5.655
 ROA1   Fr= 1--     160.340                -75.000                123.221
 CID1   Fr= 1--       9.567                 -5.506                 21.790
 Raman2 Fr= 1--       7.166                  5.825                  2.416
 ROA2   Fr= 1--      19.367                 -6.814                 27.443
 CID2   Fr= 1--       2.703                 -1.170                 11.360
 Raman3 Fr= 1--      14.333                 11.650                  4.831
 ROA3   Fr= 1--     160.340                -75.000                123.221
 CID3   Fr= 1--      11.187                 -6.438                 25.504
 RC180  Fr= 1--       0.710                  0.710                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.3204                 1.1150                 1.4723
  Dep-P Fr= 1--      0.7228                 0.4497                 0.6945
  Dep-U Fr= 1--      0.8391                 0.6204                 0.8197
 Alpha2 Fr= 1--      0.0006                 0.0068                 0.0014
 Beta2  Fr= 1--      0.1847                 0.1153                 0.2011
 AlphaG Fr= 1--      0.0096                -0.0195                 0.0063
 Gamma2 Fr= 1--     -0.0776                -0.7513                 2.3965
 Delta2 Fr= 1--      0.2422                -0.5148                 1.3403
 Raman1 Fr= 1--       5.281                  4.460                  5.889
 ROA1   Fr= 1--       0.303                -88.604                272.950
 CID1   Fr= 1--       0.057                -19.866                 46.347
 Raman2 Fr= 1--       2.216                  1.384                  2.414
 ROA2   Fr= 1--      -3.799                -13.914                 46.793
 CID2   Fr= 1--      -1.714                -10.056                 19.387
 Raman3 Fr= 1--       4.432                  2.767                  4.827
 ROA3   Fr= 1--       0.303                -88.604                272.950
 CID3   Fr= 1--       0.068                -32.018                 56.543
 RC180  Fr= 1--       0.678                  0.241                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0283                 1.5598                 0.1252
  Dep-P Fr= 1--      0.2910                 0.4818                 0.3408
  Dep-U Fr= 1--      0.4509                 0.6503                 0.5084
 Alpha2 Fr= 1--      0.0003                 0.0084                 0.0011
 Beta2  Fr= 1--      0.0021                 0.1691                 0.0106
 AlphaG Fr= 1--      0.0017                 0.0058                 0.0009
 Gamma2 Fr= 1--     -0.1056                -2.0838                 0.0387
 Delta2 Fr= 1--      0.0521                -1.0906                -0.0084
 Raman1 Fr= 1--       0.113                  6.239                  0.501
 ROA1   Fr= 1--      -8.470               -234.941                  3.445
 CID1   Fr= 1--     -74.826                -37.656                  6.879
 Raman2 Fr= 1--       0.026                  2.029                  0.127
 ROA2   Fr= 1--      -2.950                -41.286                  0.996
 CID2   Fr= 1--    -115.628                -20.351                  7.827
 Raman3 Fr= 1--       0.051                  4.057                  0.255
 ROA3   Fr= 1--      -8.470               -234.941                  3.445
 CID3   Fr= 1--    -165.963                -57.905                 13.531
 RC180  Fr= 1--      -0.098                  0.301                  0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.1850                 2.4724                 2.6103
  Dep-P Fr= 1--      0.7478                 0.1293                 0.3477
  Dep-U Fr= 1--      0.8557                 0.2290                 0.5160
 Alpha2 Fr= 1--      0.0000                 0.0403                 0.0231
 Beta2  Fr= 1--      0.1690                 0.0944                 0.2245
 AlphaG Fr= 1--     -0.0001                -0.0219                 0.0556
 Gamma2 Fr= 1--      0.8917                -0.6376                 1.0250
 Delta2 Fr= 1--      0.1959                 0.0398                 0.3029
 Raman1 Fr= 1--       4.740                  9.890                 10.441
 ROA1   Fr= 1--      91.873                -59.933                108.097
 CID1   Fr= 1--      19.383                 -6.060                 10.353
 Raman2 Fr= 1--       2.028                  1.133                  2.694
 ROA2   Fr= 1--      19.833                -15.620                 22.178
 CID2   Fr= 1--       9.780                -13.792                  8.233
 Raman3 Fr= 1--       4.056                  2.265                  5.387
 ROA3   Fr= 1--      91.873                -59.933                108.097
 CID3   Fr= 1--      22.652                -26.459                 20.065
 RC180  Fr= 1--       0.711                 -0.542                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--      9.5166                 3.1114                 0.5829
  Dep-P Fr= 1--      0.1425                 0.5297                 0.5348
  Dep-U Fr= 1--      0.2494                 0.6925                 0.6969
 Alpha2 Fr= 1--      0.1499                 0.0133                 0.0024
 Beta2  Fr= 1--      0.3956                 0.3591                 0.0677
 AlphaG Fr= 1--      0.0344                -0.0774                 0.0264
 Gamma2 Fr= 1--      0.4520                -3.0705                -0.6233
 Delta2 Fr= 1--      0.3442                -0.1999                -0.4332
 Raman1 Fr= 1--      38.066                 12.446                  2.332
 ROA1   Fr= 1--      54.402               -301.168                -73.693
 CID1   Fr= 1--       1.429                -24.199                -31.607
 Raman2 Fr= 1--       4.748                  4.310                  0.812
 ROA2   Fr= 1--       8.093                -72.093                -11.493
 CID2   Fr= 1--       1.705                -16.729                -14.147
 Raman3 Fr= 1--       9.495                  8.619                  1.625
 ROA3   Fr= 1--      54.402               -301.168                -73.693
 CID3   Fr= 1--       5.730                -34.942                -45.355
 RC180  Fr= 1--      -0.501                  0.385                  0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      0.7843                 2.6490                 1.9847
  Dep-P Fr= 1--      0.6468                 0.7497                 0.5152
  Dep-U Fr= 1--      0.7855                 0.8570                 0.6801
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0091
 Beta2  Fr= 1--      0.1027                 0.3783                 0.2250
 AlphaG Fr= 1--      0.0028                -0.0004                 0.0081
 Gamma2 Fr= 1--     -0.0418                 0.2059                -0.3261
 Delta2 Fr= 1--     -0.5025                -0.1745                 0.0563
 Raman1 Fr= 1--       3.137                 10.596                  7.939
 ROA1   Fr= 1--     -20.092                 14.183                -29.504
 CID1   Fr= 1--      -6.404                  1.339                 -3.716
 Raman2 Fr= 1--       1.232                  4.540                  2.699
 ROA2   Fr= 1--       3.017                  6.338                 -8.277
 CID2   Fr= 1--       2.449                  1.396                 -3.066
 Raman3 Fr= 1--       2.464                  9.080                  5.399
 ROA3   Fr= 1--     -20.092                 14.183                -29.504
 CID3   Fr= 1--      -8.153                  1.562                 -5.465
 RC180  Fr= 1--       0.571                  0.714                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.1080                 1.8559                15.2225
  Dep-P Fr= 1--      0.6794                 0.6270                 0.3585
  Dep-U Fr= 1--      0.8091                 0.7707                 0.5278
 Alpha2 Fr= 1--      0.0001                 0.0042                 0.1300
 Beta2  Fr= 1--      0.0146                 0.2384                 1.3390
 AlphaG Fr= 1--      0.0015                -0.0597                -0.0737
 Gamma2 Fr= 1--     -0.2224                 0.8271                 0.0385
 Delta2 Fr= 1--      0.1065                 0.5049                -0.1076
 Raman1 Fr= 1--       0.432                  7.423                 60.890
 ROA1   Fr= 1--     -17.942                 95.563                  0.250
 CID1   Fr= 1--     -41.548                 12.873                  0.004
 Raman2 Fr= 1--       0.175                  2.861                 16.068
 ROA2   Fr= 1--      -6.189                 15.812                  1.784
 CID2   Fr= 1--     -35.425                  5.527                  0.111
 Raman3 Fr= 1--       0.349                  5.721                 32.137
 ROA3   Fr= 1--     -17.942                 95.563                  0.250
 CID3   Fr= 1--     -51.350                 16.703                  0.008
 RC180  Fr= 1--       0.618                  0.541                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      5.0857                 4.2418                 2.8491
  Dep-P Fr= 1--      0.4445                 0.1995                 0.4847
  Dep-U Fr= 1--      0.6154                 0.3326                 0.6530
 Alpha2 Fr= 1--      0.0319                 0.0577                 0.0151
 Beta2  Fr= 1--      0.5217                 0.2351                 0.3101
 AlphaG Fr= 1--     -0.1626                 0.1722                 0.0525
 Gamma2 Fr= 1--      3.5024                -0.3445                -0.0644
 Delta2 Fr= 1--      1.8656                -1.0948                 0.2309
 Raman1 Fr= 1--      20.343                 16.967                 11.396
 ROA1   Fr= 1--     395.932                -68.104                  1.201
 CID1   Fr= 1--      19.463                 -4.014                  0.105
 Raman2 Fr= 1--       6.260                  2.822                  3.721
 ROA2   Fr= 1--      69.134                  0.491                 -3.393
 CID2   Fr= 1--      11.044                  0.174                 -0.912
 Raman3 Fr= 1--      12.520                  5.643                  7.441
 ROA3   Fr= 1--     395.932                -68.104                  1.201
 CID3   Fr= 1--      31.625                -12.068                  0.161
 RC180  Fr= 1--       0.231                 -0.335                  0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      0.7634                 2.5118                 1.3015
  Dep-P Fr= 1--      0.7225                 0.1552                 0.1114
  Dep-U Fr= 1--      0.8389                 0.2687                 0.2005
 Alpha2 Fr= 1--      0.0004                 0.0383                 0.0222
 Beta2  Fr= 1--      0.1067                 0.1125                 0.0435
 AlphaG Fr= 1--      0.0122                -0.2594                 0.0265
 Gamma2 Fr= 1--      0.6924                -0.3316                -1.3043
 Delta2 Fr= 1--      0.0991                 0.5357                -0.4888
 Raman1 Fr= 1--       3.054                 10.047                  5.206
 ROA1   Fr= 1--      69.638                -14.686               -140.854
 CID1   Fr= 1--      22.805                 -1.462                -27.056
 Raman2 Fr= 1--       1.281                  1.350                  0.522
 ROA2   Fr= 1--      15.824                -12.243                -27.392
 CID2   Fr= 1--      12.354                 -9.070                -52.495
 Raman3 Fr= 1--       2.562                  2.700                  1.044
 ROA3   Fr= 1--      69.638                -14.686               -140.854
 CID3   Fr= 1--      27.185                 -5.440               -134.967
 RC180  Fr= 1--       0.678                 -0.463                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     14.7219                31.9486                28.2114
  Dep-P Fr= 1--      0.0449                 0.0743                 0.0894
  Dep-U Fr= 1--      0.0860                 0.1383                 0.1641
 Alpha2 Fr= 1--      0.2943                 0.5954                 0.5069
 Beta2  Fr= 1--      0.2110                 0.7365                 0.7717
 AlphaG Fr= 1--     -0.1142                 0.1054                -0.1546
 Gamma2 Fr= 1--     -1.7136                 1.4266                 0.2124
 Delta2 Fr= 1--      0.0763                -0.3726                 0.8020
 Raman1 Fr= 1--      58.888                127.795                112.846
 ROA1   Fr= 1--    -162.063                125.032                 46.057
 CID1   Fr= 1--      -2.752                  0.978                  0.408
 Raman2 Fr= 1--       2.532                  8.838                  9.261
 ROA2   Fr= 1--     -41.737                 37.220                 -1.318
 CID2   Fr= 1--     -16.486                  4.211                 -0.142
 Raman3 Fr= 1--       5.063                 17.677                 18.522
 ROA3   Fr= 1--    -162.063                125.032                 46.057
 CID3   Fr= 1--     -32.007                  7.073                  2.487
 RC180  Fr= 1--      -0.828                 -0.723                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.6140                 1.4894                 3.6705
  Dep-P Fr= 1--      0.3195                 0.3212                 0.3849
  Dep-U Fr= 1--      0.4843                 0.4862                 0.5559
 Alpha2 Fr= 1--      0.0059                 0.0143                 0.0287
 Beta2  Fr= 1--      0.0496                 0.1207                 0.3401
 AlphaG Fr= 1--     -0.0187                -0.0023                -0.0395
 Gamma2 Fr= 1--      0.1899                 0.1555                -0.0693
 Delta2 Fr= 1--      0.0265                -0.0096                 0.6104
 Raman1 Fr= 1--       2.456                  5.958                 14.682
 ROA1   Fr= 1--      19.074                 14.621                 12.879
 CID1   Fr= 1--       7.766                  2.454                  0.877
 Raman2 Fr= 1--       0.595                  1.448                  4.081
 ROA2   Fr= 1--       4.345                  3.809                 -6.547
 CID2   Fr= 1--       7.305                  2.629                 -1.604
 Raman3 Fr= 1--       1.189                  2.897                  8.161
 ROA3   Fr= 1--      19.074                 14.621                 12.879
 CID3   Fr= 1--      16.036                  5.047                  1.578
 RC180  Fr= 1--      -0.031                 -0.028                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     17.9445                 2.1037                 1.0231
  Dep-P Fr= 1--      0.0926                 0.7024                 0.4899
  Dep-U Fr= 1--      0.1696                 0.8252                 0.6576
 Alpha2 Fr= 1--      0.3199                 0.0017                 0.0053
 Beta2  Fr= 1--      0.5071                 0.2893                 0.1121
 AlphaG Fr= 1--      0.2967                 0.0151                 0.0705
 Gamma2 Fr= 1--     -0.7935                -0.1622                -0.1868
 Delta2 Fr= 1--     -0.6373                -0.1428                -0.1352
 Raman1 Fr= 1--      71.778                  8.415                  4.092
 ROA1   Fr= 1--     -96.568                -20.143                -22.256
 CID1   Fr= 1--      -1.345                 -2.394                 -5.438
 Raman2 Fr= 1--       6.086                  3.472                  1.346
 ROA2   Fr= 1--     -13.946                 -2.751                 -3.401
 CID2   Fr= 1--      -2.292                 -0.792                 -2.528
 Raman3 Fr= 1--      12.171                  6.944                  2.691
 ROA3   Fr= 1--     -96.568                -20.143                -22.256
 CID3   Fr= 1--      -7.934                 -2.901                 -8.269
 RC180  Fr= 1--      -0.661                  0.650                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      5.8423                 1.2764                 0.9601
  Dep-P Fr= 1--      0.3740                 0.6118                 0.7488
  Dep-U Fr= 1--      0.5443                 0.7592                 0.8564
 Alpha2 Fr= 1--      0.0474                 0.0032                 0.0000
 Beta2  Fr= 1--      0.5300                 0.1615                 0.1370
 AlphaG Fr= 1--      0.1181                 0.0014                -0.0064
 Gamma2 Fr= 1--      3.3315                -0.3759                 0.1478
 Delta2 Fr= 1--     -1.4599                 0.3440                -0.1144
 Raman1 Fr= 1--      23.369                  5.105                  3.840
 ROA1   Fr= 1--     273.111                -25.078                 10.527
 CID1   Fr= 1--      11.687                 -4.912                  2.741
 Raman2 Fr= 1--       6.361                  1.938                  1.644
 ROA2   Fr= 1--      91.636                -11.774                  4.462
 CID2   Fr= 1--      14.407                 -6.076                  2.713
 Raman3 Fr= 1--      12.721                  3.876                  3.289
 ROA3   Fr= 1--     273.111                -25.078                 10.527
 CID3   Fr= 1--      21.469                 -6.470                  3.201
 RC180  Fr= 1--       0.089                  0.518                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     17.6113                 4.0473                 2.7419
  Dep-P Fr= 1--      0.1377                 0.4555                 0.1035
  Dep-U Fr= 1--      0.2421                 0.6259                 0.1877
 Alpha2 Fr= 1--      0.2808                 0.0243                 0.0476
 Beta2  Fr= 1--      0.7106                 0.4222                 0.0858
 AlphaG Fr= 1--     -0.1899                 0.1102                 0.0116
 Gamma2 Fr= 1--     -0.9494                -0.3876                 0.0274
 Delta2 Fr= 1--      0.0123                -1.2220                -0.0828
 Raman1 Fr= 1--      70.445                 16.189                 10.967
 ROA1   Fr= 1--     -90.744                -76.318                 -0.018
 CID1   Fr= 1--      -1.288                 -4.714                 -0.002
 Raman2 Fr= 1--       8.528                  5.066                  1.029
 ROA2   Fr= 1--     -22.883                  0.473                  1.320
 CID2   Fr= 1--      -2.683                  0.093                  1.283
 Raman3 Fr= 1--      17.056                 10.132                  2.058
 ROA3   Fr= 1--     -90.744                -76.318                 -0.018
 CID3   Fr= 1--      -5.320                 -7.532                 -0.009
 RC180  Fr= 1--      -0.516                  0.252                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      2.1786                10.2299                 2.0541
  Dep-P Fr= 1--      0.6129                 0.1853                 0.6935
  Dep-U Fr= 1--      0.7600                 0.3127                 0.8190
 Alpha2 Fr= 1--      0.0055                 0.1444                 0.0020
 Beta2  Fr= 1--      0.2759                 0.5331                 0.2804
 AlphaG Fr= 1--     -0.0090                -0.2728                -0.0002
 Gamma2 Fr= 1--      0.1231                -1.9963                -0.0485
 Delta2 Fr= 1--     -0.0354                 2.3773                -0.5068
 Raman1 Fr= 1--       8.714                 40.920                  8.217
 ROA1   Fr= 1--      10.686               -115.568                -20.871
 CID1   Fr= 1--       1.226                 -2.824                 -2.540
 Raman2 Fr= 1--       3.311                  6.397                  3.365
 ROA2   Fr= 1--       3.237                -66.929                  2.890
 CID2   Fr= 1--       0.978                -10.463                  0.859
 Raman3 Fr= 1--       6.623                 12.794                  6.730
 ROA3   Fr= 1--      10.686               -115.568                -20.871
 CID3   Fr= 1--       1.614                 -9.033                 -3.101
 RC180  Fr= 1--       0.520                 -0.375                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.9878                23.6430                 8.6210
  Dep-P Fr= 1--      0.7485                 0.3605                 0.6407
  Dep-U Fr= 1--      0.8562                 0.5300                 0.7810
 Alpha2 Fr= 1--      0.0000                 0.2005                 0.0170
 Beta2  Fr= 1--      0.1410                 2.0884                 1.1222
 AlphaG Fr= 1--     -0.0046                 0.0503                -0.0050
 Gamma2 Fr= 1--     -0.0196                 3.6853                 0.8327
 Delta2 Fr= 1--     -0.0843                 4.1662                -1.7682
 Raman1 Fr= 1--       3.951                 94.572                 34.484
 ROA1   Fr= 1--      -4.578                487.105                 23.358
 CID1   Fr= 1--      -1.159                  5.151                  0.677
 Raman2 Fr= 1--       1.691                 25.060                 13.466
 ROA2   Fr= 1--       0.204                 55.117                 34.130
 CID2   Fr= 1--       0.120                  2.199                  2.534
 Raman3 Fr= 1--       3.383                 50.121                 26.933
 ROA3   Fr= 1--      -4.578                487.105                 23.358
 CID3   Fr= 1--      -1.353                  9.719                  0.867
 RC180  Fr= 1--       0.712                  0.060                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      8.5932                54.2324                 1.7778
  Dep-P Fr= 1--      0.3586                 0.2051                 0.6631
  Dep-U Fr= 1--      0.5279                 0.3403                 0.7974
 Alpha2 Fr= 1--      0.0734                 0.7266                 0.0028
 Beta2  Fr= 1--      0.7560                 3.0762                 0.2363
 AlphaG Fr= 1--     -0.0118                -0.1042                -0.0003
 Gamma2 Fr= 1--      0.2419                -7.0948                 0.9714
 Delta2 Fr= 1--      0.0674                 0.3967                -0.2787
 Raman1 Fr= 1--      34.373                216.930                  7.111
 ROA1   Fr= 1--      25.384               -668.402                 84.335
 CID1   Fr= 1--       0.738                 -3.081                 11.860
 Raman2 Fr= 1--       9.073                 36.915                  2.835
 ROA2   Fr= 1--       5.267               -173.448                 25.543
 CID2   Fr= 1--       0.581                 -4.699                  9.009
 Raman3 Fr= 1--      18.145                 73.829                  5.671
 ROA3   Fr= 1--      25.384               -668.402                 84.335
 CID3   Fr= 1--       1.399                 -9.053                 14.872
 RC180  Fr= 1--       0.056                 -0.319                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     45.7409                11.4129                 2.4678
  Dep-P Fr= 1--      0.2565                 0.7141                 0.1930
  Dep-U Fr= 1--      0.4083                 0.8332                 0.3235
 Alpha2 Fr= 1--      0.5323                 0.0071                 0.0341
 Beta2  Fr= 1--      3.1126                 1.5849                 0.1331
 AlphaG Fr= 1--      0.1084                 0.0040                -0.0033
 Gamma2 Fr= 1--      2.5842                -3.3667                 4.0703
 Delta2 Fr= 1--      0.8648                -2.4803                -0.1467
 Raman1 Fr= 1--     182.963                 45.652                  9.871
 ROA1   Fr= 1--     275.759               -402.569                386.056
 CID1   Fr= 1--       1.507                 -8.818                 39.109
 Raman2 Fr= 1--      37.351                 19.019                  1.597
 ROA2   Fr= 1--      55.103                -60.958                 98.861
 CID2   Fr= 1--       1.475                 -3.205                 61.915
 Raman3 Fr= 1--      74.701                 38.037                  3.193
 ROA3   Fr= 1--     275.759               -402.569                386.056
 CID3   Fr= 1--       3.691                -10.584                120.891
 RC180  Fr= 1--      -0.183                  0.666                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     27.0801                 7.8704                 5.0924
  Dep-P Fr= 1--      0.1955                 0.2604                 0.7497
  Dep-U Fr= 1--      0.3271                 0.4132                 0.8569
 Alpha2 Fr= 1--      0.3721                 0.0906                 0.0000
 Beta2  Fr= 1--      1.4763                 0.5420                 0.7273
 AlphaG Fr= 1--     -0.1058                 0.0948                 0.0044
 Gamma2 Fr= 1--     -1.0177                 0.5019                 3.4110
 Delta2 Fr= 1--     -0.4592                 0.6946                 1.8757
 Raman1 Fr= 1--     108.321                 31.482                 20.370
 ROA1   Fr= 1--    -112.398                 70.406                387.482
 CID1   Fr= 1--      -1.038                  2.236                 19.023
 Raman2 Fr= 1--      17.716                  6.504                  8.728
 ROA2   Fr= 1--     -20.752                  6.488                 66.859
 CID2   Fr= 1--      -1.171                  0.998                  7.660
 Raman3 Fr= 1--      35.431                 13.007                 17.456
 ROA3   Fr= 1--    -112.398                 70.406                387.482
 CID3   Fr= 1--      -3.172                  5.413                 22.198
 RC180  Fr= 1--      -0.346                 -0.174                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     51.3548                33.9313               541.9098
  Dep-P Fr= 1--      0.1874                 0.1682                 0.2044
  Dep-U Fr= 1--      0.3156                 0.2879                 0.3394
 Alpha2 Fr= 1--      0.7210                 0.5007                 7.2740
 Beta2  Fr= 1--      2.7013                 1.6283                30.6542
 AlphaG Fr= 1--     -0.0577                -0.0760                -0.3289
 Gamma2 Fr= 1--     -1.1946                 0.0579                 2.7495
 Delta2 Fr= 1--     -1.2099                 1.6548                 1.5451
 Raman1 Fr= 1--     205.419                135.725               2167.639
 ROA1   Fr= 1--    -153.395                 58.513                313.397
 CID1   Fr= 1--      -0.747                  0.431                  0.145
 Raman2 Fr= 1--      32.416                 19.539                367.850
 ROA2   Fr= 1--     -18.990                -11.848                 53.628
 CID2   Fr= 1--      -0.586                 -0.606                  0.146
 Raman3 Fr= 1--      64.832                 39.078                735.700
 ROA3   Fr= 1--    -153.395                 58.513                313.397
 CID3   Fr= 1--      -2.366                  1.497                  0.426
 RC180  Fr= 1--      -0.369                 -0.424                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     35.1098               166.6148                 4.0692
  Dep-P Fr= 1--      0.1561                 0.2563                 0.6218
  Dep-U Fr= 1--      0.2700                 0.4080                 0.7668
 Alpha2 Fr= 1--      0.5345                 1.9400                 0.0095
 Beta2  Fr= 1--      1.5799                11.3304                 0.5200
 AlphaG Fr= 1--     -0.1359                -0.3814                -0.0028
 Gamma2 Fr= 1--     -2.0193                -1.3948                -0.7555
 Delta2 Fr= 1--      0.1016                 0.6871                -0.2362
 Raman1 Fr= 1--     140.439                666.459                 16.277
 ROA1   Fr= 1--    -190.603               -111.917                -80.089
 CID1   Fr= 1--      -1.357                 -0.168                 -4.920
 Raman2 Fr= 1--      18.959                135.965                  6.240
 ROA2   Fr= 1--     -49.276                -38.973                -16.243
 CID2   Fr= 1--      -2.599                 -0.287                 -2.603
 Raman3 Fr= 1--      37.918                271.931                 12.481
 ROA3   Fr= 1--    -190.603               -111.917                -80.089
 CID3   Fr= 1--      -5.027                 -0.412                 -6.417
 RC180  Fr= 1--      -0.460                 -0.184                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      6.5537                12.2639                 5.1223
  Dep-P Fr= 1--      0.7128                 0.7499                 0.7259
  Dep-U Fr= 1--      0.8323                 0.8571                 0.8412
 Alpha2 Fr= 1--      0.0042                 0.0000                 0.0021
 Beta2  Fr= 1--      0.9091                 1.7519                 0.7182
 AlphaG Fr= 1--     -0.0070                -0.0012                 0.0417
 Gamma2 Fr= 1--      0.4699                -1.0700                 1.3824
 Delta2 Fr= 1--     -0.7551                 0.2524                 1.6154
 Raman1 Fr= 1--      26.215                 49.056                 20.489
 ROA1   Fr= 1--      20.942                -94.647                184.398
 CID1   Fr= 1--       0.799                 -1.929                  9.000
 Raman2 Fr= 1--      10.909                 21.023                  8.618
 ROA2   Fr= 1--      17.318                -27.701                 20.253
 CID2   Fr= 1--       1.587                 -1.318                  2.350
 Raman3 Fr= 1--      21.819                 42.045                 17.236
 ROA3   Fr= 1--      20.942                -94.647                184.398
 CID3   Fr= 1--       0.960                 -2.251                 10.699
 RC180  Fr= 1--       0.665                  0.714                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     18.4249               126.7544                 9.1322
  Dep-P Fr= 1--      0.4520                 0.2558                 0.2204
  Dep-U Fr= 1--      0.6226                 0.4074                 0.3612
 Alpha2 Fr= 1--      0.1120                 1.4779                 0.1174
 Beta2  Fr= 1--      1.9118                 8.6071                 0.5498
 AlphaG Fr= 1--      0.0015                -0.1703                 0.0623
 Gamma2 Fr= 1--      0.2443                -1.0806                -0.3528
 Delta2 Fr= 1--      0.1287                 0.0759                -0.2746
 Raman1 Fr= 1--      73.700                507.018                 36.529
 ROA1   Fr= 1--      27.570               -101.310                -42.654
 CID1   Fr= 1--       0.374                 -0.200                 -1.168
 Raman2 Fr= 1--      22.942                103.286                  6.598
 ROA2   Fr= 1--       4.833                -26.542                 -6.270
 CID2   Fr= 1--       0.211                 -0.257                 -0.950
 Raman3 Fr= 1--      45.884                206.572                 13.196
 ROA3   Fr= 1--      27.570               -101.310                -42.654
 CID3   Fr= 1--       0.601                 -0.490                 -3.232
 RC180  Fr= 1--       0.245                 -0.185                 -0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     75.7389                 6.0029               295.0231
  Dep-P Fr= 1--      0.5776                 0.7496                 0.3668
  Dep-U Fr= 1--      0.7322                 0.8569                 0.5367
 Alpha2 Fr= 1--      0.2452                 0.0000                 2.4507
 Beta2  Fr= 1--      9.2433                 0.8573                26.3916
 AlphaG Fr= 1--      0.1090                 0.0007                -0.2648
 Gamma2 Fr= 1--     -0.7343                 0.2360                 0.0010
 Delta2 Fr= 1--      1.0723                -0.5818                 0.2069
 Raman1 Fr= 1--     302.956                 24.012               1180.093
 ROA1   Fr= 1--     -36.176                  4.035                  6.712
 CID1   Fr= 1--      -0.119                  0.168                  0.006
 Raman2 Fr= 1--     110.920                 10.288                316.699
 ROA2   Fr= 1--     -26.200                 10.317                 -1.632
 CID2   Fr= 1--      -0.236                  1.003                 -0.005
 Raman3 Fr= 1--     221.839                 20.576                633.399
 ROA3   Fr= 1--     -36.176                  4.035                  6.712
 CID3   Fr= 1--      -0.163                  0.196                  0.011
 RC180  Fr= 1--       0.464                  0.714                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     24.5711               217.4823                95.2931
  Dep-P Fr= 1--      0.3119                 0.0347                 0.1513
  Dep-U Fr= 1--      0.4755                 0.0670                 0.2629
 Alpha2 Fr= 1--      0.2431                 4.4552                 1.4682
 Beta2  Fr= 1--      1.9473                 2.4284                 4.1748
 AlphaG Fr= 1--     -0.8665                 0.0252                -0.3773
 Gamma2 Fr= 1--     -3.2435                -0.1809                -3.3837
 Delta2 Fr= 1--      0.1279                 0.4016                -3.1717
 Raman1 Fr= 1--      98.284                869.929                381.172
 ROA1   Fr= 1--    -307.286                 -4.511               -426.333
 CID1   Fr= 1--      -3.127                 -0.005                 -1.118
 Raman2 Fr= 1--      23.368                 29.141                 50.098
 ROA2   Fr= 1--     -78.867                 -7.553                -55.837
 CID2   Fr= 1--      -3.375                 -0.259                 -1.115
 Raman3 Fr= 1--      46.735                 58.282                100.196
 ROA3   Fr= 1--    -307.286                 -4.511               -426.333
 CID3   Fr= 1--      -6.575                 -0.077                 -4.255
 RC180  Fr= 1--      -0.049                 -0.866                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    165.3298                64.5421                35.3195
  Dep-P Fr= 1--      0.0239                 0.7500                 0.6509
  Dep-U Fr= 1--      0.0467                 0.8571                 0.7886
 Alpha2 Fr= 1--      3.4738                 0.0000                 0.0628
 Beta2  Fr= 1--      1.2869                 9.2203                 4.6420
 AlphaG Fr= 1--     -0.5412                 0.0073                 0.0252
 Gamma2 Fr= 1--      0.9644                -0.4035                -5.8388
 Delta2 Fr= 1--      3.3959                 0.3382                -2.2192
 Raman1 Fr= 1--     661.319                258.168                141.278
 ROA1   Fr= 1--     201.252                -27.916               -631.535
 CID1   Fr= 1--       0.304                 -0.108                 -4.470
 Raman2 Fr= 1--      15.443                110.643                 55.704
 ROA2   Fr= 1--      -4.021                -12.390               -122.377
 CID2   Fr= 1--      -0.260                 -0.112                 -2.197
 Raman3 Fr= 1--      30.886                221.286                111.408
 ROA3   Fr= 1--     201.252                -27.916               -631.535
 CID3   Fr= 1--       6.516                 -0.126                 -5.669
 RC180  Fr= 1--      -0.907                  0.714                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    159.3880               180.6781                44.6318
  Dep-P Fr= 1--      0.4944                 0.4249                 0.2785
  Dep-U Fr= 1--      0.6617                 0.5964                 0.4356
 Alpha2 Fr= 1--      0.8078                 1.2214                 0.4878
 Beta2  Fr= 1--     17.5767                17.9594                 3.2404
 AlphaG Fr= 1--      0.6554                -0.0384                -0.2521
 Gamma2 Fr= 1--      6.0033                 0.0804                 0.5087
 Delta2 Fr= 1--     -0.4619                -0.1372                 1.0225
 Raman1 Fr= 1--     637.552                722.713                178.527
 ROA1   Fr= 1--     561.539                  3.328                 81.555
 CID1   Fr= 1--       0.881                  0.005                  0.457
 Raman2 Fr= 1--     210.921                215.513                 38.884
 ROA2   Fr= 1--     147.776                  3.027                  4.028
 CID2   Fr= 1--       0.701                  0.014                  0.104
 Raman3 Fr= 1--     421.842                431.026                 77.769
 ROA3   Fr= 1--     561.539                  3.328                 81.555
 CID3   Fr= 1--       1.331                  0.008                  1.049
 RC180  Fr= 1--       0.323                  0.193                 -0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     80.7493                67.7412               136.9096
  Dep-P Fr= 1--      0.5890                 0.4041                 0.1919
  Dep-U Fr= 1--      0.7413                 0.5756                 0.3220
 Alpha2 Fr= 1--      0.2425                 0.4945                 1.8996
 Beta2  Fr= 1--      9.9768                 6.4982                 7.3469
 AlphaG Fr= 1--      0.1183                -0.0219                 0.2105
 Gamma2 Fr= 1--      1.8618                 0.1072                 0.4835
 Delta2 Fr= 1--      0.7081                 0.2588                -0.1458
 Raman1 Fr= 1--     322.997                270.965                547.638
 ROA1   Fr= 1--     201.389                 18.578                 41.750
 CID1   Fr= 1--       0.623                  0.069                  0.076
 Raman2 Fr= 1--     119.722                 77.978                 88.163
 ROA2   Fr= 1--      39.017                  0.503                 12.770
 CID2   Fr= 1--       0.326                  0.006                  0.145
 Raman3 Fr= 1--     239.443                155.956                176.326
 ROA3   Fr= 1--     201.389                 18.578                 41.750
 CID3   Fr= 1--       0.841                  0.119                  0.237
 RC180  Fr= 1--       0.483                  0.151                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    160.9157               137.3361               126.7018
  Dep-P Fr= 1--      0.2341                 0.2298                 0.2135
  Dep-U Fr= 1--      0.3793                 0.3738                 0.3518
 Alpha2 Fr= 1--      1.9933                 1.7211                 1.6599
 Beta2  Fr= 1--     10.1739                 8.5551                 7.4294
 AlphaG Fr= 1--      0.0128                -0.0232                -2.1711
 Gamma2 Fr= 1--     -0.0732                -0.3180               -24.5811
 Delta2 Fr= 1--     -0.2963                 0.2721                 2.0080
 Raman1 Fr= 1--     643.663                549.345                506.807
 ROA1   Fr= 1--     -16.511                -21.821              -2295.527
 CID1   Fr= 1--      -0.026                 -0.040                 -4.529
 Raman2 Fr= 1--     122.087                102.662                 89.153
 ROA2   Fr= 1--       0.613                 -9.808               -606.009
 CID2   Fr= 1--       0.005                 -0.096                 -6.797
 Raman3 Fr= 1--     244.173                205.323                178.306
 ROA3   Fr= 1--     -16.511                -21.821              -2295.527
 CID3   Fr= 1--      -0.068                 -0.106                -12.874
 RC180  Fr= 1--      -0.241                 -0.252                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291945D+03 -0.165493D+02 -0.798042D+01
      2  -0.165493D+02  0.174078D+03 -0.111654D+02
      3  -0.798042D+01 -0.111654D+02  0.120495D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.568730D+01  0.204241D+02 -0.241976D+01
      2  -0.171498D+01 -0.156486D+02 -0.267023D+02
      3   0.126334D+03 -0.540622D+02  0.190126D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.355261D+03 -0.179883D+03  0.165792D+02
      2  -0.175145D+03  0.141907D+03 -0.487475D+02
      3  -0.180117D+03  0.379754D+02  0.321683D+02
      4  -0.105493D+03  0.955071D+02 -0.428273D+02
      5   0.771361D+02 -0.517242D+02 -0.534576D+02
      6  -0.175338D+02  0.154548D+02 -0.427760D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404650D+02  0.120877D+02 -0.741855D+00 -0.385661D+02  0.784070D+01
      2   0.120877D+02 -0.771015D+01  0.116435D+01  0.784070D+01 -0.647161D+01
      3  -0.741855D+00  0.116435D+01 -0.178971D-01  0.756342D-01  0.945465D+00
                 6             7             8             9            10 
      1   0.756342D-01  0.118775D+02 -0.303313D+01 -0.106757D+01  0.379249D+02
      2   0.945465D+00 -0.303313D+01  0.167493D+01 -0.944961D+00 -0.115066D+02
      3  -0.140708D+00 -0.106757D+01 -0.944961D+00  0.647515D+00  0.531387D+00
                11            12            13            14            15 
      1  -0.115066D+02  0.531387D+00  0.420834D+02 -0.909177D+01  0.124482D+00
      2   0.395926D+01 -0.227377D+00 -0.909177D+01  0.873142D+01 -0.140654D+01
      3  -0.227377D+00  0.391743D-01  0.124482D+00 -0.140654D+01  0.187186D+00
                16            17            18            19            20 
      1  -0.123700D+02  0.323801D+01  0.865272D+00  0.398629D+02 -0.117521D+02
      2   0.323801D+01 -0.196412D+01  0.110779D+01 -0.117521D+02  0.111192D+02
      3   0.865272D+00  0.110779D+01 -0.511019D+00  0.779762D+00 -0.213951D+01
                21            22            23            24            25 
      1   0.779762D+00 -0.198314D+02  0.390982D+01 -0.369565D+00  0.311741D+01
      2  -0.213951D+01  0.390982D+01 -0.763620D+01  0.365580D+00 -0.719621D+00
      3   0.603661D+00 -0.369565D+00  0.365580D+00 -0.169346D+01 -0.413969D+00
                26            27            28            29            30 
      1  -0.719621D+00 -0.413969D+00 -0.430541D+02  0.650031D+01  0.428049D+00
      2  -0.425902D+00 -0.295415D+01  0.650031D+01 -0.433106D+01  0.383513D-01
      3  -0.295415D+01  0.207067D+01  0.428049D+00  0.383513D-01 -0.208353D+01
                31            32            33            34            35 
      1   0.100274D+02 -0.300137D+01 -0.100243D+01 -0.392433D+01 -0.688181D+00
      2  -0.300137D+01  0.167235D+02 -0.366494D+01 -0.688181D+00 -0.307427D+01
      3  -0.100243D+01 -0.366494D+01  0.847196D+00 -0.582533D+01  0.171381D+01
                36            37            38            39            40 
      1  -0.582533D+01 -0.517983D+01 -0.235476D+01  0.528881D+00  0.793848D+01
      2   0.171381D+01 -0.235476D+01 -0.130139D+02  0.291295D+01 -0.188028D+01
      3   0.211622D+00  0.528881D+00  0.291295D+01 -0.266941D+01 -0.886717D+00
                41            42            43            44            45 
      1  -0.188028D+01 -0.886717D+00 -0.176318D+01 -0.708655D+00 -0.494846D+01
      2  -0.679385D+01  0.273447D+01 -0.708655D+00  0.372775D+01  0.186453D+01
      3   0.273447D+01  0.689226D+00 -0.494846D+01  0.186453D+01 -0.835253D+00
                46            47            48            49            50 
      1   0.115098D+02  0.139085D+01 -0.622460D+00 -0.404013D+00 -0.275683D+01
      2   0.139085D+01  0.930037D+01 -0.159366D+01 -0.275683D+01  0.203639D+00
      3  -0.622460D+00 -0.159366D+01  0.205838D+01  0.104493D+01  0.151220D+01
                51            52            53            54            55 
      1   0.104493D+01 -0.348803D+00  0.108698D+01  0.989071D+00 -0.575676D+01
      2   0.151220D+01  0.108698D+01  0.154455D+01  0.361269D+01 -0.296973D+01
      3   0.801825D+00  0.989071D+00  0.361269D+01 -0.240200D+01  0.957724D+00
                56            57            58            59            60 
      1  -0.296973D+01  0.957724D+00 -0.479979D+00  0.337348D+01 -0.112724D+01
      2  -0.477435D+01  0.668493D+00  0.337348D+01 -0.231352D+01 -0.868579D+00
      3   0.668493D+00 -0.198239D+01 -0.112724D+01 -0.868579D+00 -0.825906D+00
                61            62            63            64            65 
      1   0.294961D+00 -0.112936D+01 -0.434771D+00 -0.160552D+01 -0.230970D+01
      2  -0.112936D+01 -0.988783D+00 -0.331196D+01 -0.230970D+01 -0.107856D+01
      3  -0.434771D+00 -0.331196D+01  0.234317D+01  0.547782D+00  0.283495D+00
                66            67            68            69            70 
      1   0.547782D+00 -0.304675D+01 -0.271674D+01  0.819265D+00  0.749426D+00
      2   0.283495D+00 -0.271674D+01 -0.532470D+01  0.127041D+01  0.794481D+00
      3  -0.406043D+00  0.819265D+00  0.127041D+01 -0.116903D+01 -0.368299D+00
                71            72            73            74            75 
      1   0.794481D+00 -0.368299D+00 -0.568553D+01  0.351043D+01 -0.460242D+00
      2   0.135156D+01 -0.515788D+00  0.351043D+01 -0.361807D+01  0.550709D+00
      3  -0.515788D+00  0.376381D+00 -0.460242D+00  0.550709D+00 -0.546586D+00
                76            77            78            79            80 
      1   0.377531D+01 -0.464835D+01  0.985675D+00 -0.591054D+00  0.107672D+01
      2  -0.464835D+01  0.664405D+01 -0.101610D+01  0.107672D+01 -0.125876D+01
      3   0.985675D+00 -0.101610D+01  0.924237D+00  0.172274D+00  0.563229D+00
                81            82            83            84            85 
      1   0.172274D+00  0.133328D+01  0.189586D+01 -0.517795D+00  0.759684D+00
      2   0.563229D+00  0.189586D+01  0.271035D+01 -0.691759D+00  0.188537D+01
      3  -0.372334D+00 -0.517795D+00 -0.691759D+00  0.494177D+00 -0.440584D+00
                86            87            88            89            90 
      1   0.188537D+01 -0.440584D+00 -0.302691D+00 -0.553781D+00  0.179248D+00
      2   0.981029D+01 -0.220554D+01 -0.553781D+00 -0.258544D+01  0.784415D+00
      3  -0.220554D+01  0.144623D+01  0.179248D+00  0.784415D+00 -0.473094D+00
                91            92            93            94            95 
      1   0.126205D+02 -0.188936D+01  0.360261D+00  0.403291D+01  0.153766D+01
      2  -0.188936D+01  0.176988D+01  0.788030D+00  0.153766D+01 -0.249611D+01
      3   0.360261D+00  0.788030D+00  0.271477D+01  0.662608D+00  0.236744D+01
                96            97            98            99           100 
      1   0.662608D+00 -0.341397D+01  0.137102D+01  0.739919D+01  0.855801D+01
      2   0.236744D+01  0.137102D+01  0.214926D+01 -0.124526D+00  0.363669D+00
      3   0.991958D+00  0.739919D+01 -0.124526D+00 -0.201980D+01 -0.186558D+01
               101           102           103           104           105 
      1   0.363669D+00 -0.186558D+01 -0.242488D+00 -0.195220D+01 -0.222233D+00
      2  -0.183051D+01 -0.388479D+00 -0.195220D+01 -0.709010D-01 -0.371249D+01
      3  -0.388479D+00 -0.213076D+01 -0.222233D+00 -0.371249D+01 -0.843912D+00
               106           107           108           109           110 
      1   0.527613D+01 -0.716519D+00 -0.501644D+01  0.460784D+01  0.321544D+01
      2  -0.716519D+00 -0.271195D+01 -0.242608D+00  0.321544D+01  0.141317D+01
      3  -0.501644D+01 -0.242608D+00  0.291992D+01 -0.183688D+01 -0.572262D+00
               111           112           113           114           115 
      1  -0.183688D+01  0.955731D+00  0.144297D+01 -0.134826D+01 -0.564282D+01
      2  -0.572262D+00  0.144297D+01  0.657746D+00 -0.121831D+01 -0.151467D+01
      3  -0.547724D+00 -0.134826D+01 -0.121831D+01 -0.257589D+00 -0.291632D+01
               116           117           118           119           120 
      1  -0.151467D+01 -0.291632D+01 -0.161025D+01  0.238266D+01 -0.100379D+01
      2  -0.169339D+01 -0.931276D-01  0.238266D+01 -0.197939D+01  0.134331D+00
      3  -0.931276D-01 -0.647691D-01 -0.100379D+01  0.134331D+00 -0.127180D+01
               121           122           123           124           125 
      1   0.430310D+01 -0.221140D+01  0.258822D+00 -0.161199D+01  0.187632D+00
      2  -0.221140D+01  0.513339D+01 -0.127385D+01  0.187632D+00 -0.156731D+01
      3   0.258822D+00 -0.127385D+01  0.139069D+01 -0.162803D+01  0.116701D+01
               126           127           128           129           130 
      1  -0.162803D+01  0.175994D+00 -0.772132D+00  0.443286D+00 -0.190544D+01
      2   0.116701D+01 -0.772132D+00  0.888182D+00 -0.397305D+00  0.264234D+00
      3  -0.809564D+00  0.443286D+00 -0.397305D+00  0.142621D+01  0.364277D+00
               131           132           133           134           135 
      1   0.264234D+00  0.364277D+00  0.553374D+00  0.101712D-01  0.255490D+00
      2  -0.331779D+01  0.214350D+01  0.101712D-01  0.163596D+01 -0.143086D+01
      3   0.214350D+01 -0.268156D+01  0.255490D+00 -0.143086D+01  0.227822D+01
               136           137           138           139           140 
      1  -0.146744D+02  0.102327D+00  0.361292D+01 -0.592783D+00 -0.116983D+01
      2   0.102327D+00 -0.799502D+00 -0.182664D+00 -0.116983D+01 -0.792704D-01
      3   0.361292D+01 -0.182664D+00 -0.235521D+01  0.528824D-01  0.733188D+00
               141           142           143           144           145 
      1   0.528824D-01  0.163055D+01  0.145944D+00 -0.140921D+01 -0.305579D+00
      2   0.733188D+00  0.145944D+00  0.186513D+00 -0.500275D-02  0.885292D+00
      3  -0.807272D-01 -0.140921D+01 -0.500275D-02  0.514781D+00  0.764913D+00
               146           147           148           149           150 
      1   0.885292D+00  0.764913D+00  0.143259D+01  0.149573D+00 -0.403732D+00
      2   0.100343D+01  0.648909D+00  0.149573D+00  0.402423D+01  0.307069D+01
      3   0.648909D+00  0.144884D+01 -0.403732D+00  0.307069D+01  0.348410D+01
               151           152           153           154           155 
      1   0.216158D+00 -0.866481D-01  0.154491D+00 -0.149238D+02 -0.484551D+01
      2  -0.866481D-01  0.218807D+01  0.237139D+01 -0.484551D+01 -0.293982D+01
      3   0.154491D+00  0.237139D+01  0.373932D+01  0.115363D+01 -0.110444D+00
               156           157           158           159           160 
      1   0.115363D+01 -0.752253D+01 -0.568036D+01  0.705287D+00  0.149971D+01
      2  -0.110444D+00 -0.568036D+01 -0.502680D+01  0.656564D+00  0.666821D+00
      3  -0.242987D+01  0.705287D+00  0.656564D+00 -0.149879D+01 -0.238169D+01
               161           162           163           164           165 
      1   0.666821D+00 -0.238169D+01 -0.811743D+01 -0.293770D+01 -0.234772D+01
      2   0.119165D+01 -0.131681D+01 -0.293770D+01 -0.517963D+00 -0.189834D-01
      3  -0.131681D+01  0.178458D+01 -0.234772D+01 -0.189834D-01 -0.889488D+00
               166           167           168           169           170 
      1  -0.582233D+01 -0.120865D+01 -0.786570D+00  0.280981D+00  0.109808D+00
      2  -0.120865D+01 -0.115547D+01 -0.181341D+01  0.109808D+00 -0.427263D+00
      3  -0.786570D+00 -0.181341D+01 -0.209145D+01 -0.633069D+00 -0.138321D+01
               171           172           173           174           175 
      1  -0.633069D+00  0.776236D+01  0.247188D+01  0.617916D+00  0.658836D+01
      2  -0.138321D+01  0.247188D+01  0.952882D+00  0.389429D+00  0.137410D+01
      3  -0.638554D+01  0.617916D+00  0.389429D+00  0.208709D+01  0.987629D+00
               176           177           178           179           180 
      1   0.137410D+01  0.987629D+00  0.267316D+01  0.583308D+00  0.132727D+01
      2   0.565055D+00 -0.337749D+00  0.583308D+00 -0.832236D+00  0.594633D+00
      3  -0.337749D+00  0.141717D+01  0.132727D+01  0.594633D+00 -0.125875D+01
               181           182           183           184           185 
      1   0.491599D+01  0.255778D+01 -0.602722D+00 -0.130517D+02  0.428473D+01
      2   0.255778D+01  0.883698D+01 -0.205832D+01  0.428473D+01  0.336044D+01
      3  -0.602722D+00 -0.205832D+01  0.246988D+01  0.498488D+00 -0.209874D+01
               186           187           188           189           190 
      1   0.498488D+00  0.318539D+01 -0.410993D+00  0.370179D+01  0.405438D+02
      2  -0.209874D+01 -0.410993D+00 -0.279852D+01 -0.202078D+01 -0.900555D+01
      3  -0.860712D+00  0.370179D+01 -0.202078D+01  0.880003D+00  0.442128D+00
               191           192           193           194           195 
      1  -0.900555D+01  0.442128D+00 -0.525738D+01  0.299395D+01  0.131040D+01
      2   0.937668D+01 -0.107598D+01  0.299395D+01 -0.137468D+02  0.284685D+01
      3  -0.107598D+01  0.326104D+01  0.131040D+01  0.284685D+01 -0.735696D+00
               196           197           198           199           200 
      1  -0.384088D+00  0.140965D+01  0.643795D+01 -0.366321D+02  0.123265D+02
      2   0.140965D+01  0.205375D+01 -0.197551D+01  0.123265D+02 -0.917398D+01
      3   0.643795D+01 -0.197551D+01 -0.146520D+00 -0.757806D+00  0.175064D+01
               201           202           203           204           205 
      1  -0.757806D+00  0.197032D+02 -0.618739D+01  0.530533D+00 -0.228618D+01
      2   0.175064D+01 -0.618739D+01  0.792212D+01 -0.339110D-03  0.104314D+01
      3  -0.520238D+00  0.530533D+00 -0.339110D-03  0.179300D+01  0.116259D+00
               206           207           208           209           210 
      1   0.104314D+01  0.116259D+00 -0.119333D+02  0.548608D+01 -0.691015D+00
      2   0.870516D+00  0.386807D+01  0.548608D+01 -0.394920D+01  0.691785D+00
      3   0.386807D+01 -0.255009D+01 -0.691015D+00  0.691785D+00 -0.179452D-01
               211           212           213           214           215 
      1  -0.297812D+00  0.258985D+01 -0.607780D+00  0.893494D+00 -0.838222D+00
      2   0.258985D+01  0.115667D+01 -0.496928D+00 -0.838222D+00  0.293569D+00
      3  -0.607780D+00 -0.496928D+00 -0.799645D+00  0.441256D+00  0.684400D+00
               216           217           218           219           220 
      1   0.441256D+00 -0.143134D+01 -0.407432D+01  0.960286D+00 -0.508708D+01
      2   0.684400D+00 -0.407432D+01  0.172294D+01  0.196086D+00 -0.112105D+01
      3  -0.171508D+00  0.960286D+00  0.196086D+00 -0.522539D-01  0.507864D+00
               221           222           223           224           225 
      1  -0.112105D+01  0.507864D+00  0.105122D+01  0.410037D+00 -0.199132D+01
      2   0.244927D+01  0.193816D+01  0.410037D+00  0.152071D+01  0.381759D+01
      3   0.193816D+01  0.494147D+01 -0.199132D+01  0.381759D+01 -0.316812D+01
               226           227           228           229           230 
      1  -0.100034D+01 -0.166783D+01  0.457052D+00 -0.548713D+00 -0.127330D+01
      2  -0.166783D+01 -0.233742D+01  0.607868D+00 -0.127330D+01 -0.855474D+01
      3   0.457052D+00  0.607868D+00 -0.437117D+00  0.320545D+00  0.191801D+01
               231           232           233           234           235 
      1   0.320545D+00  0.228059D+00  0.462045D+00 -0.328053D-01  0.580623D+01
      2   0.191801D+01  0.462045D+00  0.220036D+01 -0.703819D+00 -0.315996D+01
      3  -0.133568D+01 -0.328053D-01 -0.703819D+00  0.452969D+00  0.388180D+00
               236           237           238           239           240 
      1  -0.315996D+01  0.388180D+00 -0.453921D+01  0.448767D+01 -0.945152D+00
      2   0.277966D+01 -0.396538D+00  0.448767D+01 -0.569065D+01  0.910960D+00
      3  -0.396538D+00  0.402079D+00 -0.945152D+00  0.910960D+00 -0.820456D+00
               241           242           243           244           245 
      1   0.731955D+00 -0.102775D+01 -0.190612D+00  0.206461D+01  0.290473D+01
      2  -0.102775D+01  0.117671D+01 -0.343284D+00  0.290473D+01  0.211735D+01
      3  -0.190612D+00 -0.343284D+00  0.294912D+00 -0.789152D+00 -0.584538D+00
               246           247           248           249           250 
      1  -0.789152D+00  0.342349D+01  0.350253D+01 -0.930765D+00 -0.965091D+00
      2  -0.584538D+00  0.350253D+01  0.691382D+01 -0.163834D+01 -0.974700D+00
      3   0.585487D+00 -0.930765D+00 -0.163834D+01  0.135390D+01  0.585286D+00
               251           252           253           254           255 
      1  -0.974700D+00  0.585286D+00 -0.367076D+00 -0.280746D+00 -0.959123D+00
      2  -0.183866D+01  0.592711D+00 -0.280746D+00 -0.518888D+00 -0.935950D-02
      3   0.592711D+00 -0.486137D+00 -0.959123D+00 -0.935950D-02 -0.468917D+00
               256           257           258           259           260 
      1  -0.205520D+01  0.233366D+01  0.109520D+01 -0.316391D+01  0.155431D+01
      2   0.233366D+01 -0.498655D+01 -0.271127D+01  0.155431D+01 -0.289838D+01
      3   0.109520D+01 -0.271127D+01 -0.265347D+01  0.172195D+01 -0.282665D+01
               261           262           263           264           265 
      1   0.172195D+01  0.407622D+00 -0.116963D-01  0.134113D+01 -0.585985D+00
      2  -0.282665D+01 -0.116963D-01 -0.326067D+00 -0.296495D+00  0.131521D+01
      3  -0.312520D+01  0.134113D+01 -0.296495D+00  0.609241D-01 -0.975849D+00
               266           267           268           269           270 
      1   0.131521D+01 -0.975849D+00  0.441434D+01 -0.162508D+01  0.304253D+01
      2  -0.183598D+01  0.144214D+01 -0.162508D+01  0.175497D+01 -0.242252D+01
      3   0.144214D+01 -0.207961D+01  0.304253D+01 -0.242252D+01  0.651183D+01
               271           272           273           274           275 
      1   0.146486D+02  0.145620D+01 -0.111913D+01  0.481313D+01  0.161403D+01
      2   0.145620D+01  0.948449D+00 -0.817520D-01  0.161403D+01  0.120537D+01
      3  -0.111913D+01 -0.817520D-01  0.117545D+01 -0.297643D+00 -0.392507D+00
               276           277           278           279 
      1  -0.297643D+00 -0.190576D+01 -0.122779D+00  0.186859D+01
      2  -0.392507D+00 -0.122779D+00 -0.455847D+00 -0.126718D+00
      3   0.300209D+00  0.186859D+01 -0.126718D+00 -0.246192D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220605D+01  0.243681D+01 -0.225099D+00  0.208462D+01 -0.618495D+00
      2   0.187551D+01  0.860182D+01 -0.128656D+01  0.682183D+01 -0.685964D+01
      3  -0.165861D+02  0.413154D+02 -0.932786D+01  0.194705D+02 -0.268486D+02
                 6             7             8             9            10 
      1  -0.852865D-01 -0.460801D+01  0.856340D+01 -0.208498D+01 -0.919224D-01
      2   0.200955D+01 -0.195138D+02  0.314705D+01  0.213026D+00 -0.163509D+00
      3   0.550355D+01  0.153723D+01  0.287066D+01 -0.102549D+00  0.318847D+02
                11            12            13            14            15 
      1   0.337252D+01 -0.121564D+01  0.617081D-01  0.953028D+00  0.540336D+00
      2   0.951766D+01 -0.588884D+01  0.480454D+01 -0.603482D+01  0.135644D+01
      3   0.350738D+02 -0.959394D+01  0.671768D+02 -0.332497D+02  0.409758D+01
                16            17            18            19            20 
      1  -0.445552D+01  0.695553D+01 -0.174390D+01 -0.320595D+01 -0.518647D+00
      2  -0.201465D+02  0.297504D+01  0.801359D+00 -0.464774D+01 -0.732552D+01
      3  -0.133987D+02  0.508702D+01 -0.493588D+00  0.143510D+02 -0.380746D+02
                21            22            23            24            25 
      1   0.254381D+00 -0.471328D+00 -0.151445D+00 -0.105624D+01 -0.501367D+01
      2   0.943764D+00 -0.285916D+01  0.292015D+01  0.571616D+00 -0.185651D+02
      3   0.868888D+01 -0.829930D+01  0.679453D+01 -0.233995D+01  0.711936D+01
                26            27            28            29            30 
      1   0.306266D+01 -0.974191D+00 -0.660838D+00  0.127245D+01  0.476386D+00
      2   0.750361D+01 -0.170816D+01 -0.121303D+01  0.265109D+01  0.900313D+00
      3  -0.235176D+01 -0.145594D+01 -0.337639D+02  0.118853D+02 -0.126329D+01
                31            32            33            34            35 
      1   0.441660D+01  0.476421D+01  0.956742D-01  0.322317D+01  0.118207D+02
      2   0.356304D+01 -0.163248D+01  0.409180D+00 -0.115341D+02  0.165482D+01
      3   0.323037D+02 -0.119293D+02 -0.268121D+00 -0.455252D+01 -0.831768D+00
                36            37            38            39            40 
      1  -0.277862D+01  0.804971D-01  0.615867D+00  0.603711D+01  0.293696D+01
      2   0.266603D+00 -0.410182D+01  0.158828D+01  0.123841D+01 -0.230769D+01
      3  -0.344185D+01 -0.180940D+02  0.584532D+01 -0.168024D+01  0.745893D+01
                41            42            43            44            45 
      1  -0.421370D+00 -0.163546D+01  0.169118D+02  0.433568D+01 -0.147405D+01
      2  -0.234675D+01 -0.120944D+01 -0.837882D+01 -0.698423D+01  0.217141D+01
      3   0.414116D+00 -0.137088D+01 -0.178191D+01 -0.621702D+00 -0.672202D+01
                46            47            48            49            50 
      1   0.257495D+00 -0.288473D+01 -0.499535D+01 -0.285117D+01 -0.432940D+00
      2   0.609217D+01 -0.781395D+01  0.189232D+01 -0.567736D+01  0.657601D+01
      3   0.354971D+02 -0.330688D+02  0.675485D+01 -0.661156D+01  0.243016D+02
                51            52            53            54            55 
      1  -0.287809D+01 -0.919344D+01 -0.413166D+01  0.380352D+01  0.655034D+00
      2  -0.134138D+01 -0.153314D+02  0.297004D+00  0.164364D+01  0.742976D+01
      3  -0.405475D+01  0.432766D+01 -0.283724D+01  0.519900D+01  0.343285D+02
                56            57            58            59            60 
      1  -0.409614D+01 -0.368332D+01 -0.163684D+01  0.636237D+00 -0.178164D+01
      2  -0.891673D+01 -0.290697D+01 -0.669265D+01  0.558678D+01 -0.270523D+01
      3  -0.335762D+02  0.824158D+01 -0.588707D+01  0.301028D+02 -0.393426D+01
                61            62            63            64            65 
      1  -0.795049D+01 -0.246344D+01  0.188183D+01 -0.562836D+00 -0.516525D+00
      2  -0.196149D+02 -0.251545D+01  0.544937D+01  0.681703D+00  0.744751D+00
      3   0.585202D+01 -0.183806D+01  0.978234D+01  0.315892D+00 -0.617870D-01
                66            67            68            69            70 
      1  -0.131720D+01 -0.717179D+00 -0.155731D+01 -0.285395D+01 -0.809577D+00
      2   0.325032D+00  0.123336D+01 -0.529399D+00  0.173963D+01 -0.212170D+01
      3   0.206126D+00  0.339357D+01 -0.562017D+01  0.124214D+01  0.117307D-01
                71            72            73            74            75 
      1   0.256389D+01  0.204386D+00 -0.460589D+00  0.411799D+00  0.250286D+01
      2  -0.102275D+01  0.106229D+00 -0.161986D+01  0.218004D+00  0.176426D+01
      3   0.141827D+01  0.263229D+00 -0.102517D+02  0.174224D+01 -0.216701D+00
                76            77            78            79            80 
      1  -0.131233D+01  0.316830D+00 -0.376778D+01 -0.277633D+01  0.866900D+00
      2  -0.453782D+00  0.321140D+00 -0.243113D+01 -0.197556D+01 -0.365999D+00
      3   0.376739D+01  0.572940D+00  0.764406D+00  0.629515D+00 -0.197688D+00
                81            82            83            84            85 
      1   0.665960D+00  0.641263D+00  0.363587D+00 -0.189407D+01  0.645802D+00
      2   0.821250D+00  0.129727D+01  0.763953D+00  0.618780D+00  0.101859D+01
      3   0.115766D+01  0.607896D+01  0.323291D+01 -0.130229D+01  0.495389D+01
                86            87            88            89            90 
      1   0.118837D+01 -0.518238D+01  0.126839D+01  0.205862D+01  0.712490D+00
      2   0.112689D+01  0.986242D+00 -0.888988D+00  0.287694D+00 -0.621620D+00
      3   0.361392D+01 -0.143331D+01 -0.152868D+01 -0.167393D+01 -0.304901D+00
                91            92            93            94            95 
      1   0.254730D+01  0.108611D+01 -0.162713D+01  0.564908D+01  0.522648D+00
      2  -0.397816D+01 -0.179540D+01 -0.584539D+01 -0.210965D+01 -0.106650D+02
      3   0.109650D+02  0.182337D+01  0.206569D+01  0.228869D+02 -0.141778D+02
                96            97            98            99           100 
      1  -0.213015D+01 -0.197414D+01  0.563745D+01  0.989207D+00  0.357180D+01
      2  -0.173749D+01 -0.329928D+02  0.969686D+00  0.554076D+01 -0.107860D+02
      3   0.102639D+02 -0.118039D+01  0.138258D+02  0.718804D+01  0.519302D+01
               101           102           103           104           105 
      1  -0.653705D+01  0.855444D+00 -0.243236D+01  0.415211D+00 -0.124404D+02
      2  -0.738065D+00  0.168320D+02 -0.247775D+01  0.197881D+02  0.336425D+01
      3  -0.143976D+02 -0.335301D+00 -0.811018D+01  0.130082D+01 -0.168171D+02
               106           107           108           109           110 
      1   0.311941D+01 -0.634273D+01 -0.376217D+01 -0.310224D+01  0.222653D+01
      2   0.173176D+02  0.240009D+00 -0.593865D+01  0.110106D+02  0.610588D+01
      3   0.670636D+01 -0.156847D+02 -0.543891D+01 -0.869946D+01  0.586785D+01
               111           112           113           114           115 
      1   0.987375D+01 -0.849625D+01 -0.760572D+01 -0.520520D+01  0.900903D+01
      2   0.285072D+01  0.660163D+01  0.511999D+01 -0.912771D+01  0.469653D+01
      3  -0.814229D+01  0.613849D+01  0.169448D+02 -0.443648D+01 -0.126627D+02
               116           117           118           119           120 
      1   0.175345D+01  0.485469D+01  0.148439D+01 -0.103916D+01  0.110729D+01
      2  -0.249262D+01  0.509198D+01  0.425636D+01 -0.151125D+01  0.548605D+01
      3  -0.871699D+01 -0.395171D+01  0.907250D+01 -0.700197D+01  0.100094D+00
               121           122           123           124           125 
      1  -0.127652D+01  0.182386D+01 -0.284999D+01  0.984701D+00 -0.333818D+00
      2  -0.164556D+01  0.577712D+01 -0.538813D+01  0.364909D+01 -0.423091D+01
      3  -0.128809D+01  0.185397D+02 -0.503406D+01 -0.968478D+00 -0.640715D+01
               126           127           128           129           130 
      1   0.970540D+00 -0.271640D+01  0.317706D+01 -0.110919D+01  0.143336D+01
      2   0.320917D+01 -0.423630D+01  0.392193D+01 -0.585931D+01  0.362810D+01
      3   0.299408D+01 -0.520389D+01  0.432304D+01 -0.216640D+01  0.382030D+01
               131           132           133           134           135 
      1  -0.920113D+01  0.348618D+01 -0.589043D+00  0.516509D+01 -0.323701D+01
      2  -0.102240D+02  0.984003D+01 -0.317522D+01  0.572117D+01 -0.906585D+01
      3  -0.139172D+02  0.908597D+01 -0.410059D+00  0.610478D+01 -0.577822D+01
               136           137           138           139           140 
      1  -0.253304D+01 -0.247393D+01  0.724273D+00 -0.254204D+01 -0.981286D+00
      2   0.102974D+02  0.716273D+00  0.690395D+01  0.659271D+00 -0.992386D+00
      3  -0.716972D+01 -0.589028D+01  0.113649D+01 -0.428222D+01 -0.117000D+01
               141           142           143           144           145 
      1   0.690828D+00  0.194326D+00  0.155003D+01 -0.756407D-01  0.184626D+01
      2   0.553794D+00  0.144939D+01  0.611756D+00  0.246265D+00 -0.435212D+01
      3   0.276468D+01  0.122433D-01  0.285989D+01 -0.979045D+00  0.360580D+01
               146           147           148           149           150 
      1   0.305728D+01  0.195807D+00  0.181543D+01  0.816062D+01  0.299100D+01
      2  -0.407292D+01 -0.639840D+01 -0.227888D+01 -0.129851D+02 -0.127342D+02
      3   0.449572D+01  0.243799D+01  0.381824D+01  0.149865D+02  0.109606D+02
               151           152           153           154           155 
      1  -0.488830D+00  0.513352D+01  0.287005D+01  0.372417D+01 -0.112154D-01
      2  -0.348269D+01 -0.924502D+01 -0.142837D+02 -0.114835D+02 -0.246542D+01
      3  -0.563962D+00  0.799245D+01  0.870000D+01 -0.684311D+01 -0.193999D+02
               156           157           158           159           160 
      1  -0.684356D+01  0.589886D+01  0.461589D+01 -0.529421D+01 -0.434534D+01
      2   0.180346D+02 -0.208109D+01 -0.529924D+01  0.121750D+02  0.648582D+01
      3   0.410669D+00 -0.168195D+02 -0.263628D+02  0.190436D+01  0.352850D+01
               161           162           163           164           165 
      1   0.824964D+00  0.260014D+01  0.423300D+01  0.235027D+01 -0.322243D+01
      2   0.478165D+01 -0.103242D+02 -0.890966D+01 -0.539707D+01  0.212502D+01
      3   0.540181D+01 -0.334340D+01 -0.677597D+01 -0.427574D+01  0.196361D+01
               166           167           168           169           170 
      1   0.732687D+01  0.503657D+01  0.447427D+00 -0.104570D+01  0.605274D+01
      2  -0.922974D+01  0.465354D+01  0.845777D+01 -0.274160D+01  0.432908D+01
      3  -0.480706D+00 -0.599356D+01 -0.909762D+01  0.344417D+01 -0.231119D+01
               171           172           173           174           175 
      1  -0.428296D+01 -0.711530D+01 -0.338312D+01  0.127424D+01 -0.852746D+01
      2   0.202647D+02  0.175994D+02  0.434775D+01 -0.578705D+01  0.923469D+01
      3  -0.480164D+01  0.164924D+01  0.267604D+01  0.190315D+01  0.818830D+01
               176           177           178           179           180 
      1  -0.369119D+01 -0.103269D+01  0.817550D+00  0.412489D+00 -0.917252D+00
      2   0.378312D+01 -0.449650D+01 -0.284599D+01 -0.107295D+01  0.519238D+01
      3   0.170255D+01  0.938779D+00  0.178288D+01  0.963051D+00  0.453933D+00
               181           182           183           184           185 
      1   0.347326D+00  0.314175D+01  0.441459D+01  0.241202D+01  0.930159D+00
      2  -0.573933D+01  0.136067D+01  0.631918D+01 -0.375954D+01 -0.549366D+01
      3  -0.216011D+02  0.437582D+01 -0.165300D+01 -0.183746D+02 -0.665489D+01
               186           187           188           189           190 
      1  -0.233173D+01  0.104450D+02  0.501335D+01 -0.229100D+01 -0.114503D+01
      2  -0.160175D+01 -0.513578D+01 -0.879320D+01  0.209800D+01 -0.325779D+01
      3   0.356765D+01  0.628932D+01  0.358040D+01 -0.122520D+01  0.146096D+02
               191           192           193           194           195 
      1   0.260069D+01 -0.287263D+01  0.215621D+01  0.130862D+01  0.276531D+01
      2   0.494159D+01 -0.109253D+01  0.958070D+01 -0.917276D+00 -0.772562D+00
      3   0.145555D+02 -0.381799D+01  0.344607D+02 -0.425438D+01  0.263363D-02
               196           197           198           199           200 
      1  -0.882819D+00  0.128597D+02 -0.365254D+01 -0.620354D+00 -0.285246D+01
      2   0.144408D+00  0.193972D+01 -0.291289D+00 -0.358296D+01 -0.622958D+01
      3  -0.939384D+01 -0.533147D-01  0.513297D+01 -0.363097D+02 -0.254780D+02
               201           202           203           204           205 
      1   0.119078D+01 -0.223141D+01  0.174709D+01 -0.340679D+01 -0.710671D+01
      2   0.442472D+01 -0.401997D+01  0.786391D+01  0.156127D+01 -0.159303D+02
      3   0.710871D+01  0.129117D+02  0.754092D+01 -0.539087D+01  0.313227D+01
               206           207           208           209           210 
      1   0.320578D+01  0.640486D+00  0.104953D+01 -0.227682D+01  0.336439D+01
      2   0.153655D+02 -0.626657D+01  0.155777D+01 -0.632082D+01  0.145956D+02
      3  -0.700704D+01 -0.695597D+01 -0.549710D+01 -0.369907D+02  0.556295D+01
               211           212           213           214           215 
      1   0.413345D+00 -0.175792D+01 -0.465616D+01  0.146205D+01 -0.108763D+01
      2  -0.201347D+01 -0.276744D+01 -0.489904D+01 -0.468780D+01  0.313420D+01
      3  -0.225694D+01 -0.640916D+01  0.255471D+01  0.163620D+01  0.287685D+01
               216           217           218           219           220 
      1   0.109740D+01  0.669761D+00  0.899770D+00 -0.990408D+00 -0.974066D+00
      2  -0.624904D+00  0.694940D+01  0.347178D+01 -0.979045D+00  0.404425D+01
      3  -0.383399D+01  0.328147D+02  0.251432D+01 -0.485655D+01  0.176480D+02
               221           222           223           224           225 
      1   0.250769D+01  0.566206D+01 -0.994950D+01  0.867323D+01 -0.400144D+01
      2   0.878635D+01  0.312227D+02 -0.162432D+02  0.245029D+02 -0.202316D+02
      3  -0.283193D+02 -0.102418D+02 -0.414018D+01 -0.821160D+01 -0.249129D+02
               226           227           228           229           230 
      1   0.136853D+00 -0.252100D+00 -0.150556D+01  0.937611D-01 -0.871901D+00
      2   0.214514D+01  0.174669D+01 -0.343065D+00  0.147326D+01  0.424981D+01
      3   0.796802D+01  0.565766D+01 -0.184162D+01  0.567051D+01  0.166989D+02
               231           232           233           234           235 
      1  -0.402644D+01  0.947817D+00  0.276589D+01  0.343799D+00 -0.881887D+00
      2  -0.136238D+01 -0.548559D+00 -0.139080D+01  0.317860D+00 -0.195759D+01
      3  -0.421834D+01 -0.210430D+01 -0.471312D+01  0.897057D+00 -0.351779D+01
               236           237           238           239           240 
      1   0.733027D+00  0.149226D+01 -0.274341D+00 -0.582847D+00 -0.279733D+01
      2  -0.176440D-01  0.164232D+01 -0.120961D+01  0.160960D+01 -0.325334D+01
      3  -0.391500D+01  0.762546D+00 -0.441914D+01  0.127453D+02 -0.162167D+01
               241           242           243           244           245 
      1  -0.242106D+01  0.127390D+01  0.461993D+00  0.116645D+00 -0.125621D+00
      2  -0.228979D+01 -0.551521D+00  0.120408D+01 -0.121959D+01 -0.907744D+00
      3   0.234186D+01 -0.272917D+01  0.164073D+01 -0.371819D+01 -0.355825D+01
               246           247           248           249           250 
      1  -0.146140D+01  0.148142D+00 -0.295059D+00 -0.349370D+01 -0.260833D+00
      2   0.204980D+01 -0.129596D+01 -0.392043D+01  0.440420D+01 -0.110302D+01
      3   0.768755D+00 -0.238162D+01 -0.168039D+02  0.366247D+01  0.123576D+01
               251           252           253           254           255 
      1   0.191644D+01  0.540514D+00  0.102106D+00 -0.150966D+00 -0.105861D+01
      2   0.805145D+00 -0.108127D+01 -0.637767D+01 -0.253181D+00 -0.208168D+01
      3   0.443884D+01 -0.885873D+00  0.356369D+01  0.275088D+01  0.130531D+01
               256           257           258           259           260 
      1   0.946406D+00 -0.150630D+01 -0.449471D+01  0.203441D+01 -0.127085D+01
      2   0.399265D+01 -0.137196D+02 -0.153192D+02  0.678114D+01 -0.159513D+02
      3  -0.100338D+02  0.323939D+02  0.152348D+02 -0.555843D+01  0.175652D+02
               261           262           263           264           265 
      1  -0.445786D+01  0.421137D+00 -0.240596D+00 -0.302433D+00 -0.491196D+00
      2  -0.168886D+02  0.885188D+01 -0.173392D+01  0.598586D+00 -0.468328D+01
      3   0.165437D+02  0.991845D+00  0.774852D+00  0.584919D+00 -0.640705D+01
               266           267           268           269           270 
      1   0.859171D+00 -0.285876D+01  0.342977D+01 -0.345328D-01  0.755401D+01
      2   0.845547D+01 -0.125725D+02  0.132355D+02 -0.147461D+02  0.381271D+02
      3   0.135776D+02 -0.890688D+01  0.617790D+01 -0.119359D+02  0.149317D+02
               271           272           273           274           275 
      1  -0.994236D+00 -0.386457D+00  0.560484D+00 -0.215769D+00 -0.528566D+00
      2  -0.640668D+01 -0.781634D+00  0.917303D+01 -0.186074D+01 -0.223077D+01
      3  -0.205888D+02 -0.102736D+02  0.177206D+01 -0.124333D+02 -0.878996D+01
               276           277           278           279 
      1  -0.669348D+00  0.175436D+01  0.251599D+00 -0.343175D-01
      2   0.230031D+01  0.950538D+01 -0.633708D+00 -0.144691D+01
      3   0.262591D+01  0.247914D+01  0.313729D+01 -0.256806D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.919540D+02  0.583816D+02 -0.966517D+01 -0.794775D+02 -0.307333D+01
      2   0.513457D+02 -0.391424D+02  0.669465D+01  0.448629D+02  0.405181D+01
      3   0.406084D+02 -0.192392D+02  0.297052D+01  0.346147D+02 -0.978478D+00
      4   0.555376D+02 -0.406115D+01 -0.207217D+01 -0.795900D+01 -0.470900D+01
      5  -0.184855D+02 -0.404919D+00  0.123365D+01 -0.283249D+01  0.363483D+01
      6   0.177077D+00  0.260799D+01  0.249732D+00  0.235783D+01 -0.325229D+01
                 6             7             8             9            10 
      1   0.261176D+01  0.243980D+02 -0.587143D+01 -0.111913D+02  0.100476D+03
      2  -0.406245D+01 -0.125509D+02  0.242324D+01 -0.284623D+00 -0.479921D+02
      3   0.145069D+01 -0.118471D+02  0.344819D+01  0.114759D+02 -0.524843D+02
      4   0.215764D+01 -0.150383D+01  0.142720D+01  0.648789D+00 -0.149421D+02
      5   0.562307D+00  0.134449D+01 -0.213256D+01  0.821365D+00  0.711500D+01
      6   0.741700D+00  0.157529D+01  0.314122D+01  0.240422D+01 -0.634213D+01
                11            12            13            14            15 
      1  -0.433810D+01 -0.615127D+01  0.825255D+02 -0.366366D+02  0.238344D+01
      2   0.127057D+00  0.340253D+01 -0.406203D+02  0.299320D+02 -0.599425D+01
      3   0.421104D+01  0.274874D+01 -0.419052D+02  0.670457D+01  0.361081D+01
      4   0.822638D+01 -0.270853D+01 -0.188018D+02  0.141303D+02 -0.184745D+01
      5  -0.753098D+01 -0.586869D+01  0.924606D+01 -0.252725D+01  0.634997D+00
      6   0.332196D+01  0.149504D+01 -0.244627D+01 -0.348472D+01 -0.497761D-01
                16            17            18            19            20 
      1  -0.267175D+02  0.747705D+01 -0.800430D+01  0.579267D+02 -0.614051D+02
      2   0.135745D+02 -0.625907D+01 -0.497387D+00 -0.344044D+02  0.468147D+02
      3   0.131430D+02 -0.121799D+01  0.850168D+01 -0.235223D+02  0.145904D+02
      4   0.627360D+01 -0.276195D+01  0.307800D+01 -0.501540D+02  0.203585D+01
      5  -0.131050D+01  0.306073D+01  0.857294D+00  0.200970D+02 -0.111353D+00
      6   0.378537D+01  0.481630D+01  0.205616D+01 -0.362597D+00 -0.312126D+01
                21            22            23            24            25 
      1   0.111231D+02  0.381578D+01  0.335510D+02 -0.823759D+01 -0.449141D+01
      2  -0.897844D+01 -0.125028D+02 -0.341316D+02  0.876916D+01  0.605990D+01
      3  -0.214468D+01  0.868704D+01  0.580580D+00 -0.531567D+00 -0.156848D+01
      4   0.108092D+01  0.206571D+02 -0.518625D+01  0.358776D+01 -0.280821D+01
      5  -0.478938D+01 -0.952213D+01  0.563247D+01  0.561526D+01  0.354831D+01
      6   0.136551D+01  0.798759D+01  0.914421D+01  0.679779D+00  0.108499D+01
                26            27            28            29            30 
      1  -0.375495D+01 -0.650218D+01 -0.316689D+01  0.564157D+01  0.866155D+00
      2   0.790323D+01 -0.823494D+01 -0.107740D+02 -0.805467D+01  0.205914D+00
      3  -0.414827D+01  0.147371D+02  0.139409D+02  0.241310D+01 -0.107207D+01
      4   0.601368D+01  0.216850D+01  0.141325D+02  0.110345D+02 -0.165206D+00
      5   0.863034D+01 -0.260774D+01 -0.177134D+02  0.282369D+01  0.925276D+01
      6   0.409936D+01  0.106795D+01  0.895225D+01  0.644610D-01 -0.240286D+01
                31            32            33            34            35 
      1   0.246135D+02 -0.750860D+02  0.146291D+02 -0.650764D+01  0.165977D+02
      2  -0.175056D+02  0.707305D+02 -0.182810D+02  0.316870D+01 -0.170785D+02
      3  -0.710799D+01  0.435554D+01  0.365196D+01  0.333895D+01  0.480818D+00
      4  -0.411022D+02  0.171116D+00  0.345236D+01  0.191634D+02  0.165024D+01
      5   0.157482D+02  0.246057D+01 -0.161420D+01  0.280752D+02 -0.579292D+01
      6   0.176683D+01 -0.110969D+02  0.102122D+00 -0.567163D+01  0.722990D+01
                36            37            38            39            40 
      1  -0.380330D+01 -0.585647D+01  0.704537D+02 -0.168915D+02 -0.201988D+02
      2  -0.364256D+01 -0.104724D+01 -0.591012D+02  0.103047D+02  0.204975D+02
      3   0.744586D+01  0.690371D+01 -0.113525D+02  0.658676D+01 -0.298696D+00
      4   0.198414D+01  0.814957D+01 -0.183734D+02  0.315609D+01  0.143727D+02
      5  -0.105248D+01 -0.914861D+00 -0.785261D+00  0.438193D+01  0.476119D+01
      6   0.492788D+01 -0.277983D+01  0.719545D+01 -0.116470D+02 -0.130509D+02
                41            42            43            44            45 
      1   0.378884D+02 -0.124930D+02  0.684919D+01 -0.175961D+02 -0.978415D+01
      2  -0.390999D+02  0.112224D+02 -0.139046D+02  0.196739D+02  0.396405D+00
      3   0.121148D+01  0.127060D+01  0.705536D+01 -0.207778D+01  0.938775D+01
      4   0.981900D+01 -0.778465D+01  0.166273D+01 -0.630184D+01 -0.856341D+01
      5  -0.892149D+01 -0.431646D+01  0.192389D+02 -0.595970D+01  0.491565D+01
      6   0.117892D+02  0.236538D+01 -0.191700D+02  0.112957D+02  0.807525D+00
                46            47            48            49            50 
      1   0.932254D+01 -0.529174D+02  0.104718D+02  0.154160D+02  0.484197D+01
      2  -0.688800D+01  0.459173D+02 -0.557226D+01 -0.135218D+02 -0.101539D+02
      3  -0.243453D+01  0.700008D+01 -0.489952D+01 -0.189424D+01  0.531191D+01
      4   0.288926D+01 -0.552084D+01  0.207298D+01  0.278824D+01 -0.965273D+01
      5   0.316916D+00  0.601241D+01 -0.228858D+01  0.110030D+00  0.205586D+01
      6   0.403055D+01 -0.269077D+01  0.850875D+01  0.386054D+01  0.139219D+02
                51            52            53            54            55 
      1  -0.804622D+01 -0.537129D+01 -0.477742D+01 -0.214131D+02  0.173946D+01
      2   0.100938D+02  0.772103D+01  0.149536D+02  0.847321D+01 -0.421123D+01
      3  -0.204762D+01 -0.234974D+01 -0.101762D+02  0.129399D+02  0.247177D+01
      4   0.473194D+01  0.181446D+01  0.707456D+01  0.561810D+01 -0.409579D+02
      5   0.348416D+00  0.450025D+01  0.105845D+01 -0.529915D+00  0.810855D+01
      6   0.349020D+01  0.498150D+01  0.206693D+02 -0.781918D+01  0.383286D+01
                56            57            58            59            60 
      1  -0.566664D+02  0.116444D+02  0.128502D+01  0.264453D+02 -0.115539D+02
      2   0.378022D+02 -0.444102D+01 -0.444246D+01 -0.218514D+02  0.100647D+02
      3   0.188642D+02 -0.720340D+01  0.315744D+01 -0.459384D+01  0.148926D+01
      4  -0.270539D+02  0.664448D+01  0.314243D+02 -0.147430D+02 -0.414134D+00
      5   0.772271D+01 -0.120152D+02 -0.793984D+01 -0.230530D+00 -0.143959D+01
      6  -0.165382D+01  0.693378D+01  0.252539D+01  0.112801D+02  0.203756D+01
                61            62            63            64            65 
      1  -0.148160D+01 -0.845727D+01 -0.186123D+02  0.188105D+01 -0.595333D+00
      2   0.347305D+01  0.150508D+02  0.237670D+01 -0.910096D-01  0.152419D+01
      3  -0.199145D+01 -0.659353D+01  0.162356D+02 -0.179004D+01 -0.928860D+00
      4  -0.523874D+01  0.232921D+01 -0.787803D+01  0.734257D+01  0.899328D+01
      5   0.183469D+01 -0.992731D+01  0.794982D+01 -0.166763D+01 -0.228028D+01
      6   0.184362D+01  0.151631D+02 -0.503043D+01 -0.152360D+01 -0.118182D+01
                66            67            68            69            70 
      1   0.361981D+00 -0.353734D+01 -0.157967D+02  0.421613D+01  0.116881D+01
      2   0.367738D-01  0.499417D+01  0.173990D+02 -0.171046D+01 -0.507863D+00
      3  -0.398755D+00 -0.145683D+01 -0.160222D+01 -0.250567D+01 -0.660947D+00
      4  -0.172559D+01  0.117727D+02  0.168901D+02 -0.355495D+01 -0.279313D+01
      5   0.262181D+01 -0.358474D+01 -0.378254D+01  0.372852D+01  0.203956D+01
      6   0.121810D+01 -0.278636D+01 -0.672693D+01  0.532027D+01  0.235996D+01
                71            72            73            74            75 
      1   0.316402D+01 -0.364218D+01  0.203945D+01  0.574028D+01 -0.103068D+01
      2  -0.259257D+01  0.274980D+01  0.994113D+01 -0.159179D+02  0.171241D+01
      3  -0.571451D+00  0.892384D+00 -0.119806D+02  0.101776D+02 -0.681733D+00
      4  -0.427528D+01  0.258389D+01 -0.279887D+02  0.247054D+02 -0.373143D+01
      5   0.955483D+00 -0.132511D+01  0.401074D+01 -0.383031D+01  0.403462D+01
      6   0.337784D+01 -0.276800D+01 -0.257201D+01  0.292232D+01 -0.385065D+01
                76            77            78            79            80 
      1   0.104527D+02 -0.219724D+02  0.379331D+01 -0.280606D+01  0.451569D+01
      2  -0.221400D+02  0.386257D+02 -0.459466D+01  0.554407D+01 -0.656391D+01
      3   0.116873D+02 -0.166532D+02  0.801353D+00 -0.273801D+01  0.204822D+01
      4   0.274166D+02 -0.346002D+02  0.539894D+01 -0.533667D+01  0.609423D+01
      5  -0.522368D+01  0.558682D+01 -0.443709D+01  0.113415D+01 -0.337263D+01
      6   0.588488D+01 -0.695335D+01  0.703234D+01 -0.613509D-01  0.463619D+01
                81            82            83            84            85 
      1  -0.149290D+01 -0.654084D+01 -0.108827D+02  0.312991D+01 -0.831577D+01
      2   0.286299D+01  0.975874D+01  0.159446D+02 -0.311972D+01  0.112607D+02
      3  -0.137009D+01 -0.321790D+01 -0.506188D+01 -0.101958D-01 -0.294498D+01
      4  -0.369345D+01  0.869791D+01  0.164359D+02 -0.364923D+01  0.970998D+01
      5   0.190250D+01 -0.142893D+01 -0.241762D+01  0.270694D+01 -0.162524D+01
      6  -0.277060D+01 -0.312422D+01 -0.469872D+01  0.372719D+01 -0.326542D+01
                86            87            88            89            90 
      1  -0.490877D+02  0.118604D+02  0.270269D+01  0.127892D+02 -0.474549D+01
      2   0.671267D+02 -0.126907D+02 -0.361791D+01 -0.155892D+02  0.532029D+01
      3  -0.180390D+02  0.830223D+00  0.915218D+00  0.279996D+01 -0.574806D+00
      4   0.218768D+02 -0.449871D+01 -0.305464D+01 -0.527957D+01  0.322935D+01
      5  -0.215546D+01  0.195345D+01  0.102288D+01  0.263827D+01 -0.162115D+01
      6  -0.168967D+02  0.114293D+02  0.760924D+00  0.759682D+01 -0.464715D+01
                91            92            93            94            95 
      1   0.207368D+01  0.546254D+01 -0.126205D+02  0.305916D+00 -0.904143D+01
      2   0.235598D+01 -0.525874D+00  0.941109D+00  0.594719D+01 -0.271717D+01
      3  -0.442966D+01 -0.493667D+01  0.116794D+02 -0.625310D+01  0.117586D+02
      4  -0.389138D+01 -0.187095D+02 -0.296233D+01 -0.222354D+02  0.290617D+02
      5  -0.494622D+00 -0.471696D+01 -0.192495D+02  0.140374D+00 -0.173996D+02
      6  -0.317404D+01  0.511281D+00  0.703251D+00 -0.372039D+01  0.350779D+01
                96            97            98            99           100 
      1  -0.163843D+01  0.107415D+00 -0.258775D+01 -0.180007D+02 -0.737711D+02
      2   0.213899D+01 -0.143720D+02  0.758447D+01  0.173758D+02  0.424830D+02
      3  -0.500562D+00  0.142646D+02 -0.499672D+01  0.624979D+00  0.312882D+02
      4  -0.201164D+02 -0.500291D+01 -0.219301D+02 -0.357261D+01  0.231298D+01
      5  -0.397254D+01 -0.570609D+02  0.265270D+01  0.182506D+02  0.389951D+02
      6   0.250332D+01  0.254136D+01 -0.128154D+01 -0.176707D+01  0.137119D+00
               101           102           103           104           105 
      1  -0.147357D+01  0.276290D+02 -0.831115D+01  0.332476D+02  0.627463D+01
      2   0.473054D+00 -0.805590D+01  0.212246D+01 -0.731762D+01 -0.210851D+01
      3   0.100051D+01 -0.195731D+02  0.618869D+01 -0.259300D+02 -0.416613D+01
      4   0.198822D+02  0.918100D+00  0.185444D+02 -0.265315D+01  0.256051D+02
      5   0.269095D+01  0.879796D+01  0.437699D+01  0.166129D+02  0.429284D+01
      6  -0.121118D+02 -0.144309D+01 -0.717532D+01 -0.242651D+01 -0.203062D+02
               106           107           108           109           110 
      1   0.680852D+01  0.490995D+01  0.175920D+02 -0.572795D+02 -0.212968D+02
      2   0.132990D+02 -0.400387D+01 -0.213438D+02  0.191138D+02  0.616419D+00
      3  -0.201075D+02 -0.906082D+00  0.375182D+01  0.381657D+02  0.206803D+02
      4  -0.437890D+00  0.222265D+02  0.212461D+01 -0.389975D+02 -0.248965D+02
      5   0.362054D+02 -0.266453D+00 -0.288150D+02  0.108025D+02  0.119906D+01
      6  -0.256091D+01 -0.151513D+02 -0.384889D+01  0.145935D+01  0.362395D+01
               111           112           113           114           115 
      1   0.731448D+01 -0.316095D+02 -0.143762D+02  0.103930D+02  0.298087D+02
      2  -0.426059D+01  0.681303D+01  0.158107D+01 -0.510394D+00 -0.101926D+02
      3  -0.305389D+01  0.247964D+02  0.127951D+02 -0.988261D+01 -0.196161D+02
      4   0.460054D+01 -0.150582D+02 -0.241467D+02  0.125801D+02  0.162104D+02
      5  -0.296142D+01  0.157629D+01  0.926055D+01 -0.634547D+01  0.155069D+02
      6  -0.448989D+01  0.424850D+01 -0.173783D+01 -0.130715D+01  0.218940D+01
               116           117           118           119           120 
      1   0.714101D+01  0.164528D+02  0.149415D+02 -0.123255D+02  0.676890D+01
      2  -0.334195D+00 -0.964363D+00 -0.170900D+01  0.246230D+01 -0.188726D+01
      3  -0.680682D+01 -0.154884D+02 -0.132325D+02  0.986317D+01 -0.488165D+01
      4   0.183252D+02  0.350447D+01 -0.244469D+02  0.227333D+02 -0.248376D+01
      5   0.191840D+01  0.331932D+01  0.895323D+01 -0.190841D+01  0.107993D+02
      6  -0.166179D+01 -0.191519D+01 -0.217084D+01  0.125760D+01 -0.119099D+01
               121           122           123           124           125 
      1  -0.187801D+02  0.393302D+01 -0.103272D+01  0.877393D+01  0.175240D+00
      2   0.486547D+01  0.118454D+02 -0.266981D+01 -0.325786D+01 -0.350917D+01
      3   0.139147D+02 -0.157784D+02  0.370253D+01 -0.551607D+01  0.333393D+01
      4   0.232499D+02 -0.441158D+02  0.107633D+02 -0.422244D+01  0.142648D+02
      5  -0.287463D+01  0.978868D+01 -0.106756D+02  0.137796D+02 -0.945355D+01
      6   0.116430D+01 -0.354352D+01  0.428809D+01 -0.265121D+01  0.612646D+01
               126           127           128           129           130 
      1   0.452241D+01 -0.139184D+01  0.836439D+01 -0.112903D+02  0.110385D+02
      2  -0.185712D+01 -0.442618D+00 -0.349786D+01  0.471872D+00 -0.688048D+01
      3  -0.266529D+01  0.183446D+01 -0.486653D+01  0.108184D+02 -0.415803D+01
      4  -0.102094D+02  0.438218D+01 -0.593097D+01  0.246350D+01 -0.361918D+00
      5   0.666959D+01 -0.176419D+01 -0.706133D+00 -0.470115D+01 -0.818893D+01
      6  -0.318972D+01 -0.402236D+01  0.565223D+01 -0.277981D+01  0.166538D+01
               131           132           133           134           135 
      1  -0.171903D+02  0.107703D+02 -0.543607D+01  0.704804D+01 -0.144287D+02
      2   0.572602D+01  0.332621D+01  0.174541D+01  0.187481D+01 -0.234736D+01
      3   0.114643D+02 -0.140966D+02  0.369065D+01 -0.892285D+01  0.167761D+02
      4   0.228149D+02 -0.146938D+02 -0.362872D+00 -0.105656D+02  0.963579D+01
      5  -0.103622D+02  0.159414D+02  0.244466D+01  0.739526D+01 -0.109306D+02
      6  -0.168699D+02  0.134935D+02 -0.143330D+00  0.108690D+02 -0.869927D+01
               136           137           138           139           140 
      1   0.110878D+03 -0.918597D+00 -0.201892D+02  0.227187D+01  0.638216D+01
      2  -0.662556D+02  0.291615D+00  0.185220D+02 -0.244715D+01 -0.455908D+01
      3  -0.446228D+02  0.626982D+00  0.166717D+01  0.175278D+00 -0.182308D+01
      4  -0.581059D+01  0.107946D+02  0.219895D+01  0.141998D+02  0.194130D+00
      5  -0.630128D+02  0.147800D+01  0.292552D+02 -0.228058D+01 -0.744172D+01
      6   0.250748D+01 -0.369295D+01 -0.147438D+01 -0.450568D+01 -0.819454D-01
               141           142           143           144           145 
      1  -0.965551D+00 -0.974440D+01 -0.130671D+01  0.102838D+02 -0.401582D+00
      2   0.131815D+01  0.101945D+02  0.519195D+00 -0.811996D+01 -0.883163D+00
      3  -0.352594D+00 -0.450055D+00  0.787514D+00 -0.216382D+01  0.128474D+01
      4  -0.604499D+01 -0.780218D+00 -0.384765D+01 -0.514515D-01 -0.417093D+01
      5   0.130213D+01  0.195427D+02  0.727918D+00 -0.938968D+01 -0.404409D+01
      6   0.429752D+01 -0.517647D-01  0.289696D+01  0.333218D+00  0.461629D+01
               146           147           148           149           150 
      1  -0.992577D+01 -0.134526D+02 -0.833439D+01 -0.213294D+02 -0.157526D+02
      2   0.430458D+01  0.218506D+01  0.576948D+01  0.101946D+02  0.218179D+00
      3   0.562119D+01  0.112675D+02  0.256492D+01  0.111348D+02  0.155344D+02
      4  -0.465271D+01 -0.220294D+01  0.287882D+01 -0.268257D+02 -0.209198D+02
      5   0.374620D+00 -0.367891D+01  0.823130D+01 -0.163336D+02 -0.208882D+02
      6   0.642758D+01  0.469025D+01  0.178954D-01  0.226692D+02  0.202297D+02
               151           152           153           154           155 
      1  -0.503350D+01 -0.117573D+02 -0.210151D+02  0.140924D+03  0.365892D+02
      2   0.227996D+01 -0.404058D+00 -0.225941D+01 -0.587725D+02 -0.828541D+01
      3   0.275354D+01  0.121614D+02  0.232745D+02 -0.821512D+02 -0.283038D+02
      4   0.282558D+01 -0.147877D+02 -0.154358D+02  0.672372D+02  0.457573D+02
      5   0.370267D+01 -0.135585D+02 -0.202939D+02  0.132608D+01  0.247928D+01
      6  -0.584074D+00  0.155565D+02  0.168946D+02 -0.205491D+01 -0.643523D+00
               156           157           158           159           160 
      1  -0.105939D+02  0.468440D+02  0.302982D+02 -0.541339D+01 -0.119145D+02
      2   0.160749D+01 -0.672097D+01  0.568849D+01 -0.149424D+01  0.216158D+01
      3   0.898640D+01 -0.401230D+02 -0.359867D+02  0.690763D+01  0.975296D+01
      4  -0.190689D+01  0.652615D+02  0.608833D+02 -0.856993D+01 -0.813264D+01
      5   0.284116D+02 -0.196470D+01 -0.371717D+01  0.172775D+02  0.291027D+02
      6   0.728876D+01  0.552171D+00  0.627339D+00  0.868149D+01  0.870989D+01
               161           162           163           164           165 
      1  -0.361303D+01  0.166714D+02  0.302202D+02  0.133160D+02  0.928993D+01
      2  -0.201343D+01 -0.815590D+01 -0.177917D+02 -0.387382D+01 -0.720537D+01
      3   0.562645D+01 -0.851550D+01 -0.124285D+02 -0.944222D+01 -0.208456D+01
      4  -0.121111D+02  0.149597D+02  0.239591D+02  0.137193D+02  0.190623D+01
      5   0.132454D+02 -0.124082D+02  0.188860D+02  0.309946D+01  0.158457D+02
      6   0.761516D+01 -0.243271D+01  0.980405D+01  0.174908D+01  0.570188D+00
               166           167           168           169           170 
      1   0.180097D+02 -0.458111D+01 -0.103378D+02 -0.584032D+01 -0.746463D+01
      2  -0.815678D+01  0.408436D+01  0.320557D+01 -0.186853D+01  0.170872D+01
      3  -0.985292D+01  0.496752D+00  0.713220D+01  0.770886D+01  0.575591D+01
      4   0.162005D+02  0.100457D+02  0.111934D+02 -0.257178D+01  0.223011D+01
      5   0.103302D+02  0.130379D+02  0.120068D+02  0.147710D+02  0.654663D+01
      6   0.352070D+01  0.889726D+01  0.129907D+02  0.113632D+01  0.106139D+02
               171           172           173           174           175 
      1  -0.252729D+02 -0.334209D+02 -0.840965D+01  0.928269D+01 -0.187567D+02
      2  -0.136814D+02  0.157193D+02  0.273108D+01  0.180088D+01  0.101579D+02
      3   0.389542D+02  0.177016D+02  0.567858D+01 -0.110836D+02  0.859879D+01
      4   0.467033D+01 -0.213691D+02 -0.987313D+01 -0.813706D+00 -0.144271D+02
      5   0.410673D+02 -0.126581D+02 -0.424159D+01 -0.101985D+02 -0.946619D+01
      6   0.120574D+02 -0.703278D+01 -0.447542D+01 -0.291314D+01 -0.470386D+01
               176           177           178           179           180 
      1  -0.956095D+01  0.340673D+01  0.174208D+01  0.898295D+00 -0.889116D+01
      2   0.465964D+01  0.246885D+01  0.355637D+01  0.393191D+00  0.135763D+01
      3   0.490131D+01 -0.587558D+01 -0.529845D+01 -0.129149D+01  0.753352D+01
      4  -0.618639D+01  0.888782D+00 -0.425235D+01 -0.370485D+00 -0.412054D+01
      5  -0.531696D+00 -0.844295D+01 -0.455184D+01 -0.186976D+01  0.246703D+01
      6  -0.286803D+01  0.966697D+00 -0.241709D+01  0.123424D+01 -0.167667D+01
               181           182           183           184           185 
      1   0.124816D+01  0.618030D+02 -0.139845D+02 -0.740969D+02  0.354449D+02
      2  -0.195522D+01 -0.412504D+02  0.523775D+01  0.479763D+02 -0.274219D+02
      3   0.707061D+00 -0.205526D+02  0.874680D+01  0.261206D+02 -0.802296D+01
      4   0.368306D+02  0.308652D+02 -0.823420D+01  0.337913D+02  0.237875D+02
      5  -0.510030D+01 -0.102333D+02  0.160803D+02 -0.520693D+00 -0.135610D+02
      6  -0.280256D+01  0.555553D+01 -0.886981D+01 -0.102891D+02  0.900142D+01
               186           187           188           189           190 
      1  -0.494333D+01  0.196789D+02 -0.139700D+02  0.223382D+01  0.156191D+03
      2   0.470189D+01 -0.207594D+02  0.136793D+02 -0.803471D+01 -0.871941D+02
      3   0.241437D+00  0.108046D+01  0.290716D+00  0.580090D+01 -0.689970D+02
      4  -0.133937D+02 -0.606665D+01 -0.154103D+02 -0.113779D+02 -0.218371D+02
      5  -0.405177D+01  0.261896D+02 -0.123376D+02  0.783890D+01  0.764005D+01
      6   0.322863D+01 -0.130180D+02  0.827303D+01  0.149675D+01  0.207870D+01
               191           192           193           194           195 
      1  -0.434975D+02  0.236910D+01  0.204384D+01 -0.296372D+02  0.130915D+02
      2   0.272120D+02 -0.143227D+01 -0.596379D+01  0.285576D+02 -0.137768D+02
      3   0.162855D+02 -0.936822D+00  0.391995D+01  0.107961D+01  0.685311D+00
      4   0.304003D+02 -0.569098D+01 -0.266873D+02 -0.593236D+02  0.149920D+02
      5  -0.689505D+01  0.332494D+01  0.163284D+02  0.154362D+02 -0.468594D+01
      6   0.152527D+00  0.420599D+01  0.603278D+01 -0.930617D+01 -0.556340D+00
               196           197           198           199           200 
      1  -0.415193D+01  0.150625D+02  0.215097D+02 -0.117843D+03  0.120453D+02
      2   0.385337D+01 -0.124564D+02 -0.194628D+02  0.575055D+02 -0.348141D+01
      3   0.298567D+00 -0.260602D+01 -0.204686D+01  0.603374D+02 -0.856386D+01
      4   0.193762D+02  0.950624D+01 -0.617113D+01  0.143032D+02 -0.352899D+02
      5   0.444983D+02 -0.123480D+02  0.174531D+01 -0.410148D+01  0.146043D+02
      6  -0.135962D+01  0.600642D+01  0.383643D+01  0.645487D+01 -0.221448D+01
               201           202           203           204           205 
      1   0.365559D+01  0.923977D+02 -0.149008D+02 -0.525936D+01 -0.150458D+02
      2  -0.260865D+01 -0.573509D+02  0.389607D+00  0.595416D+01  0.120996D+02
      3  -0.104694D+01 -0.350468D+02  0.145112D+02 -0.694801D+00  0.294615D+01
      4   0.105018D+02 -0.119869D+02  0.266713D+02  0.260221D+01  0.485059D+01
      5   0.105187D+01  0.307535D+01  0.159356D+01  0.697731D+01  0.332335D+01
      6  -0.251924D+00  0.510585D+01  0.106129D+02  0.262940D+01  0.218161D+01
               206           207           208           209           210 
      1   0.961324D+00 -0.155851D+02 -0.125468D+02  0.363461D+02 -0.479507D+01
      2   0.710487D+01 -0.680281D+00  0.495323D+01 -0.223417D+02  0.210394D+01
      3  -0.806619D+01  0.162654D+02  0.759361D+01 -0.140044D+02  0.269113D+01
      4   0.958618D+01  0.213370D+02  0.280070D+02  0.446224D+01  0.378849D+01
      5   0.226710D+02 -0.122954D+02 -0.667842D+01  0.434443D+01  0.251491D+02
      6   0.119796D+02 -0.148186D+01  0.788886D+00 -0.862699D+00 -0.555766D+01
               211           212           213           214           215 
      1   0.805349D+01  0.901466D+01 -0.328681D+01  0.661250D+00 -0.351085D+01
      2  -0.148778D+01 -0.283170D+01  0.457737D+01  0.103610D+01  0.326025D+01
      3  -0.656571D+01 -0.618296D+01 -0.129056D+01 -0.169735D+01  0.250599D+00
      4   0.309123D+02  0.133143D+02 -0.537083D+01 -0.569643D+01 -0.597559D+00
      5  -0.637499D+01 -0.452539D+01 -0.894793D+01  0.126358D+02  0.513303D+01
      6  -0.118674D+01  0.180988D+01  0.746772D+01  0.257310D+01  0.295185D+01
               216           217           218           219           220 
      1   0.254315D+01 -0.763311D+02 -0.390952D+02  0.139504D+02 -0.535411D+02
      2  -0.317507D+01  0.449511D+02  0.195550D+02 -0.707856D+01  0.274364D+02
      3   0.631916D+00  0.313800D+02  0.195402D+02 -0.687188D+01  0.261047D+02
      4   0.696597D+01 -0.365765D+02  0.103876D+02  0.230020D+01 -0.158120D+02
      5  -0.288821D+01  0.131459D+02  0.258838D+01 -0.641415D+01  0.720120D+01
      6  -0.222290D+01 -0.133912D+01 -0.862683D+00  0.189164D+01  0.171050D+01
               221           222           223           224           225 
      1   0.914772D+01  0.104236D+02  0.160083D+02  0.785104D+01  0.265382D+01
      2  -0.917491D+01 -0.121670D+02 -0.448069D+01 -0.969154D+01 -0.174054D+01
      3   0.271899D-01  0.174341D+01 -0.115276D+02  0.184050D+01 -0.913282D+00
      4   0.304613D+02  0.201835D+02  0.519619D+01  0.150273D+02  0.395774D+02
      5   0.204220D+02  0.602289D+02 -0.228989D+02  0.432398D+02 -0.378142D+02
      6  -0.808343D+01 -0.175229D+02  0.942048D+01 -0.135456D+02  0.719803D+01
               226           227           228           229           230 
      1  -0.765024D+01 -0.155492D+02  0.439775D+01 -0.764965D+01 -0.442326D+02
      2   0.729465D+01  0.143571D+02 -0.284496D+01  0.725558D+01  0.501275D+02
      3   0.355587D+00  0.119210D+01 -0.155279D+01  0.394066D+00 -0.589491D+01
      4   0.287190D+00  0.528209D+01 -0.876278D+00  0.268624D+01 -0.989935D+01
      5   0.204549D+00 -0.621764D+00  0.896444D+00 -0.914086D-01  0.383899D+01
      6  -0.231793D+01 -0.398974D+01  0.290057D+01 -0.200475D+01 -0.146133D+02
               231           232           233           234           235 
      1   0.109828D+02  0.255669D+01  0.118568D+02 -0.463921D+01  0.328556D+02
      2  -0.899331D+01 -0.225771D+01 -0.115112D+02  0.419202D+01 -0.106985D+02
      3  -0.198952D+01 -0.298982D+00 -0.345594D+00  0.447187D+00 -0.221571D+02
      4   0.265149D+01 -0.102175D+00  0.270809D+01  0.873401D+00 -0.305952D+02
      5  -0.261269D+01  0.145328D+01 -0.405755D+00 -0.194180D-01  0.582346D+01
      6   0.940777D+01  0.621501D+00  0.628830D+01 -0.395830D+01 -0.209093D+01
               236           237           238           239           240 
      1  -0.128272D+02  0.132756D+01 -0.156580D+02  0.424958D+01 -0.892343D+00
      2   0.325157D-01 -0.280259D+00 -0.320322D+01  0.150326D+02 -0.684593D+00
      3   0.127947D+02 -0.104730D+01  0.188612D+02 -0.192822D+02  0.157694D+01
      4   0.248866D+02 -0.356980D+01  0.370542D+02 -0.426565D+02  0.654971D+01
      5  -0.464346D+01  0.401154D+01 -0.883903D+01  0.850898D+01 -0.669079D+01
      6   0.215960D+01 -0.226607D+01  0.533249D+01 -0.632191D+01  0.548909D+01
               241           242           243           244           245 
      1   0.150751D+01 -0.831642D+00 -0.138308D+01  0.521602D+01  0.876196D+01
      2   0.208723D+01 -0.235331D+01  0.170804D+01  0.230937D+01  0.502849D+00
      3  -0.359474D+01  0.318495D+01 -0.324958D+00 -0.752539D+01 -0.926481D+01
      4  -0.779933D+01  0.813995D+01 -0.369742D+01  0.244767D+02  0.225514D+02
      5   0.290961D+00 -0.343211D+01  0.233220D+01 -0.572281D+01 -0.478254D+01
      6  -0.634733D+00  0.306073D+01 -0.199225D+01 -0.284024D+01 -0.262642D+01
               246           247           248           249           250 
      1  -0.212858D+01  0.590755D+01 -0.869837D+01  0.211380D+01 -0.156299D+01
      2   0.745569D+00  0.604563D+01  0.233094D+02 -0.292937D+01 -0.205083D+00
      3   0.138301D+01 -0.119532D+02 -0.146110D+02  0.815573D+00  0.176807D+01
      4  -0.581414D+01  0.298054D+02  0.491468D+02 -0.113424D+02 -0.801750D+01
      5   0.500389D+01 -0.627938D+01 -0.961583D+01  0.861017D+01  0.461000D+01
      6   0.265583D+01 -0.433826D+01 -0.849719D+01  0.749644D+01  0.388094D+01
               251           252           253           254           255 
      1   0.150635D+01 -0.105528D+01  0.317067D+01 -0.784027D+01 -0.125034D+02
      2  -0.413610D+01  0.240063D+01 -0.621604D+00  0.438332D+01  0.614336D+01
      3   0.262975D+01 -0.134536D+01 -0.254907D+01  0.345695D+01  0.636004D+01
      4  -0.129449D+02  0.559676D+01 -0.513064D+01 -0.777714D-01  0.235302D+01
      5   0.355981D+01 -0.337153D+01 -0.113100D+02  0.142669D+01 -0.272655D+01
      6   0.441289D+01 -0.374047D+01  0.324393D+01  0.671747D+00  0.181531D+01
               256           257           258           259           260 
      1  -0.173698D+02  0.889576D+00 -0.146259D+01 -0.275707D+02  0.171930D+01
      2   0.446644D+01  0.120580D+02  0.552943D+01  0.124058D+02  0.316214D+01
      3   0.129033D+02 -0.129475D+02 -0.406684D+01  0.151649D+02 -0.488144D+01
      4   0.312618D+02 -0.546283D+02 -0.282669D+02  0.193663D+02 -0.303803D+02
      5   0.131335D+02 -0.289977D+02 -0.300495D+02  0.211269D+02 -0.304939D+02
      6  -0.634028D+01  0.135968D+02  0.122544D+02 -0.763580D+01  0.130897D+02
               261           262           263           264           265 
      1  -0.156705D+01  0.119779D+02 -0.303601D+01  0.149371D+02 -0.519827D+01
      2  -0.233158D+00 -0.755929D+01  0.188040D+01 -0.689173D+01  0.145133D+01
      3   0.180021D+01 -0.441865D+01  0.115560D+01 -0.804540D+01  0.374694D+01
      4  -0.283322D+02 -0.282147D+01  0.510040D-01 -0.568927D+01  0.183623D+02
      5  -0.327941D+02  0.162314D+02 -0.486257D+01  0.471715D+01 -0.129114D+02
      6   0.122990D+02 -0.370920D+01  0.966260D+00 -0.117892D-01  0.396373D+01
               266           267           268           269           270 
      1   0.308558D+01 -0.380203D+01  0.388628D+02 -0.812689D+01  0.699122D+01
      2   0.921825D+00  0.113057D+01 -0.237539D+02  0.436897D+01 -0.134325D+02
      3  -0.400741D+01  0.267146D+01 -0.151089D+02  0.375792D+01  0.644125D+01
      4  -0.215936D+02  0.160618D+02 -0.211277D+02  0.201877D+02 -0.247455D+02
      5   0.168370D+02 -0.249005D+02  0.393303D+02 -0.279202D+02  0.738309D+02
      6  -0.583224D+01  0.101654D+02 -0.892831D+01  0.104678D+02 -0.164396D+02
               271           272           273           274           275 
      1   0.194332D+03  0.180289D+02 -0.138638D+02  0.568868D+02  0.207294D+02
      2  -0.103070D+03 -0.104268D+02  0.786122D+01 -0.310443D+02 -0.106786D+02
      3  -0.912618D+02 -0.760208D+01  0.600262D+01 -0.258425D+02 -0.100508D+02
      4   0.145953D+02  0.153133D+02 -0.854208D+00  0.240272D+02  0.151029D+02
      5  -0.145397D+02 -0.103679D+01  0.178103D+02 -0.373921D+01 -0.460398D+01
      6   0.217590D+01 -0.134276D-01 -0.107082D+01  0.135596D+00  0.569392D+00
               276           277           278           279 
      1  -0.438933D+01 -0.226387D+02 -0.260386D+01  0.192453D+02
      2   0.306093D+01  0.127891D+02  0.227936D+01 -0.113956D+02
      3   0.132840D+01  0.984962D+01  0.324500D+00 -0.784973D+01
      4  -0.456186D+01 -0.143120D+01 -0.522663D+01 -0.707480D+00
      5   0.459118D+01  0.265150D+02 -0.711536D+00 -0.379160D+01
      6   0.144862D+01 -0.130767D+01  0.224977D+01 -0.144199D+00
 Leave Link  716 at Fri Aug 13 13:51:45 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291945D+03 -0.165493D+02 -0.798042D+01
      2  -0.165493D+02  0.174078D+03 -0.111654D+02
      3  -0.798042D+01 -0.111654D+02  0.120495D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.568730D+01  0.204241D+02 -0.241976D+01
      2  -0.171498D+01 -0.156486D+02 -0.267023D+02
      3   0.126334D+03 -0.540622D+02  0.190126D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.355261D+03 -0.179883D+03  0.165792D+02
      2  -0.175145D+03  0.141907D+03 -0.487475D+02
      3  -0.180117D+03  0.379754D+02  0.321683D+02
      4  -0.105493D+03  0.955071D+02 -0.428273D+02
      5   0.771361D+02 -0.517242D+02 -0.534576D+02
      6  -0.175338D+02  0.154548D+02 -0.427760D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404650D+02  0.120877D+02 -0.741855D+00 -0.385661D+02  0.784070D+01
      2   0.120877D+02 -0.771015D+01  0.116435D+01  0.784070D+01 -0.647161D+01
      3  -0.741855D+00  0.116435D+01 -0.178971D-01  0.756342D-01  0.945465D+00
                 6             7             8             9            10 
      1   0.756342D-01  0.118775D+02 -0.303313D+01 -0.106757D+01  0.379249D+02
      2   0.945465D+00 -0.303313D+01  0.167493D+01 -0.944961D+00 -0.115066D+02
      3  -0.140708D+00 -0.106757D+01 -0.944961D+00  0.647515D+00  0.531387D+00
                11            12            13            14            15 
      1  -0.115066D+02  0.531387D+00  0.420834D+02 -0.909177D+01  0.124482D+00
      2   0.395926D+01 -0.227377D+00 -0.909177D+01  0.873142D+01 -0.140654D+01
      3  -0.227377D+00  0.391743D-01  0.124482D+00 -0.140654D+01  0.187186D+00
                16            17            18            19            20 
      1  -0.123700D+02  0.323801D+01  0.865272D+00  0.398629D+02 -0.117521D+02
      2   0.323801D+01 -0.196412D+01  0.110779D+01 -0.117521D+02  0.111192D+02
      3   0.865272D+00  0.110779D+01 -0.511019D+00  0.779762D+00 -0.213951D+01
                21            22            23            24            25 
      1   0.779762D+00 -0.198314D+02  0.390982D+01 -0.369565D+00  0.311741D+01
      2  -0.213951D+01  0.390982D+01 -0.763620D+01  0.365580D+00 -0.719621D+00
      3   0.603661D+00 -0.369565D+00  0.365580D+00 -0.169346D+01 -0.413969D+00
                26            27            28            29            30 
      1  -0.719621D+00 -0.413969D+00 -0.430541D+02  0.650031D+01  0.428049D+00
      2  -0.425902D+00 -0.295415D+01  0.650031D+01 -0.433106D+01  0.383513D-01
      3  -0.295415D+01  0.207067D+01  0.428049D+00  0.383513D-01 -0.208353D+01
                31            32            33            34            35 
      1   0.100274D+02 -0.300137D+01 -0.100243D+01 -0.392433D+01 -0.688181D+00
      2  -0.300137D+01  0.167235D+02 -0.366494D+01 -0.688181D+00 -0.307427D+01
      3  -0.100243D+01 -0.366494D+01  0.847196D+00 -0.582533D+01  0.171381D+01
                36            37            38            39            40 
      1  -0.582533D+01 -0.517983D+01 -0.235476D+01  0.528881D+00  0.793848D+01
      2   0.171381D+01 -0.235476D+01 -0.130139D+02  0.291295D+01 -0.188028D+01
      3   0.211622D+00  0.528881D+00  0.291295D+01 -0.266941D+01 -0.886717D+00
                41            42            43            44            45 
      1  -0.188028D+01 -0.886717D+00 -0.176318D+01 -0.708655D+00 -0.494846D+01
      2  -0.679385D+01  0.273447D+01 -0.708655D+00  0.372775D+01  0.186453D+01
      3   0.273447D+01  0.689226D+00 -0.494846D+01  0.186453D+01 -0.835253D+00
                46            47            48            49            50 
      1   0.115098D+02  0.139085D+01 -0.622460D+00 -0.404013D+00 -0.275683D+01
      2   0.139085D+01  0.930037D+01 -0.159366D+01 -0.275683D+01  0.203639D+00
      3  -0.622460D+00 -0.159366D+01  0.205838D+01  0.104493D+01  0.151220D+01
                51            52            53            54            55 
      1   0.104493D+01 -0.348803D+00  0.108698D+01  0.989071D+00 -0.575676D+01
      2   0.151220D+01  0.108698D+01  0.154455D+01  0.361269D+01 -0.296973D+01
      3   0.801825D+00  0.989071D+00  0.361269D+01 -0.240200D+01  0.957724D+00
                56            57            58            59            60 
      1  -0.296973D+01  0.957724D+00 -0.479979D+00  0.337348D+01 -0.112724D+01
      2  -0.477435D+01  0.668493D+00  0.337348D+01 -0.231352D+01 -0.868579D+00
      3   0.668493D+00 -0.198239D+01 -0.112724D+01 -0.868579D+00 -0.825906D+00
                61            62            63            64            65 
      1   0.294961D+00 -0.112936D+01 -0.434771D+00 -0.160552D+01 -0.230970D+01
      2  -0.112936D+01 -0.988783D+00 -0.331196D+01 -0.230970D+01 -0.107856D+01
      3  -0.434771D+00 -0.331196D+01  0.234317D+01  0.547782D+00  0.283495D+00
                66            67            68            69            70 
      1   0.547782D+00 -0.304675D+01 -0.271674D+01  0.819265D+00  0.749426D+00
      2   0.283495D+00 -0.271674D+01 -0.532470D+01  0.127041D+01  0.794481D+00
      3  -0.406043D+00  0.819265D+00  0.127041D+01 -0.116903D+01 -0.368299D+00
                71            72            73            74            75 
      1   0.794481D+00 -0.368299D+00 -0.568553D+01  0.351043D+01 -0.460242D+00
      2   0.135156D+01 -0.515788D+00  0.351043D+01 -0.361807D+01  0.550709D+00
      3  -0.515788D+00  0.376381D+00 -0.460242D+00  0.550709D+00 -0.546586D+00
                76            77            78            79            80 
      1   0.377531D+01 -0.464835D+01  0.985675D+00 -0.591054D+00  0.107672D+01
      2  -0.464835D+01  0.664405D+01 -0.101610D+01  0.107672D+01 -0.125876D+01
      3   0.985675D+00 -0.101610D+01  0.924237D+00  0.172274D+00  0.563229D+00
                81            82            83            84            85 
      1   0.172274D+00  0.133328D+01  0.189586D+01 -0.517795D+00  0.759684D+00
      2   0.563229D+00  0.189586D+01  0.271035D+01 -0.691759D+00  0.188537D+01
      3  -0.372334D+00 -0.517795D+00 -0.691759D+00  0.494177D+00 -0.440584D+00
                86            87            88            89            90 
      1   0.188537D+01 -0.440584D+00 -0.302691D+00 -0.553781D+00  0.179248D+00
      2   0.981029D+01 -0.220554D+01 -0.553781D+00 -0.258544D+01  0.784415D+00
      3  -0.220554D+01  0.144623D+01  0.179248D+00  0.784415D+00 -0.473094D+00
                91            92            93            94            95 
      1   0.126205D+02 -0.188936D+01  0.360261D+00  0.403291D+01  0.153766D+01
      2  -0.188936D+01  0.176988D+01  0.788030D+00  0.153766D+01 -0.249611D+01
      3   0.360261D+00  0.788030D+00  0.271477D+01  0.662608D+00  0.236744D+01
                96            97            98            99           100 
      1   0.662608D+00 -0.341397D+01  0.137102D+01  0.739919D+01  0.855801D+01
      2   0.236744D+01  0.137102D+01  0.214926D+01 -0.124526D+00  0.363669D+00
      3   0.991958D+00  0.739919D+01 -0.124526D+00 -0.201980D+01 -0.186558D+01
               101           102           103           104           105 
      1   0.363669D+00 -0.186558D+01 -0.242488D+00 -0.195220D+01 -0.222233D+00
      2  -0.183051D+01 -0.388479D+00 -0.195220D+01 -0.709010D-01 -0.371249D+01
      3  -0.388479D+00 -0.213076D+01 -0.222233D+00 -0.371249D+01 -0.843912D+00
               106           107           108           109           110 
      1   0.527613D+01 -0.716519D+00 -0.501644D+01  0.460784D+01  0.321544D+01
      2  -0.716519D+00 -0.271195D+01 -0.242608D+00  0.321544D+01  0.141317D+01
      3  -0.501644D+01 -0.242608D+00  0.291992D+01 -0.183688D+01 -0.572262D+00
               111           112           113           114           115 
      1  -0.183688D+01  0.955731D+00  0.144297D+01 -0.134826D+01 -0.564282D+01
      2  -0.572262D+00  0.144297D+01  0.657746D+00 -0.121831D+01 -0.151467D+01
      3  -0.547724D+00 -0.134826D+01 -0.121831D+01 -0.257589D+00 -0.291632D+01
               116           117           118           119           120 
      1  -0.151467D+01 -0.291632D+01 -0.161025D+01  0.238266D+01 -0.100379D+01
      2  -0.169339D+01 -0.931276D-01  0.238266D+01 -0.197939D+01  0.134331D+00
      3  -0.931276D-01 -0.647691D-01 -0.100379D+01  0.134331D+00 -0.127180D+01
               121           122           123           124           125 
      1   0.430310D+01 -0.221140D+01  0.258822D+00 -0.161199D+01  0.187632D+00
      2  -0.221140D+01  0.513339D+01 -0.127385D+01  0.187632D+00 -0.156731D+01
      3   0.258822D+00 -0.127385D+01  0.139069D+01 -0.162803D+01  0.116701D+01
               126           127           128           129           130 
      1  -0.162803D+01  0.175994D+00 -0.772132D+00  0.443286D+00 -0.190544D+01
      2   0.116701D+01 -0.772132D+00  0.888182D+00 -0.397305D+00  0.264234D+00
      3  -0.809564D+00  0.443286D+00 -0.397305D+00  0.142621D+01  0.364277D+00
               131           132           133           134           135 
      1   0.264234D+00  0.364277D+00  0.553374D+00  0.101712D-01  0.255490D+00
      2  -0.331779D+01  0.214350D+01  0.101712D-01  0.163596D+01 -0.143086D+01
      3   0.214350D+01 -0.268156D+01  0.255490D+00 -0.143086D+01  0.227822D+01
               136           137           138           139           140 
      1  -0.146744D+02  0.102327D+00  0.361292D+01 -0.592783D+00 -0.116983D+01
      2   0.102327D+00 -0.799502D+00 -0.182664D+00 -0.116983D+01 -0.792704D-01
      3   0.361292D+01 -0.182664D+00 -0.235521D+01  0.528824D-01  0.733188D+00
               141           142           143           144           145 
      1   0.528824D-01  0.163055D+01  0.145944D+00 -0.140921D+01 -0.305579D+00
      2   0.733188D+00  0.145944D+00  0.186513D+00 -0.500275D-02  0.885292D+00
      3  -0.807272D-01 -0.140921D+01 -0.500275D-02  0.514781D+00  0.764913D+00
               146           147           148           149           150 
      1   0.885292D+00  0.764913D+00  0.143259D+01  0.149573D+00 -0.403732D+00
      2   0.100343D+01  0.648909D+00  0.149573D+00  0.402423D+01  0.307069D+01
      3   0.648909D+00  0.144884D+01 -0.403732D+00  0.307069D+01  0.348410D+01
               151           152           153           154           155 
      1   0.216158D+00 -0.866481D-01  0.154491D+00 -0.149238D+02 -0.484551D+01
      2  -0.866481D-01  0.218807D+01  0.237139D+01 -0.484551D+01 -0.293982D+01
      3   0.154491D+00  0.237139D+01  0.373932D+01  0.115363D+01 -0.110444D+00
               156           157           158           159           160 
      1   0.115363D+01 -0.752253D+01 -0.568036D+01  0.705287D+00  0.149971D+01
      2  -0.110444D+00 -0.568036D+01 -0.502680D+01  0.656564D+00  0.666821D+00
      3  -0.242987D+01  0.705287D+00  0.656564D+00 -0.149879D+01 -0.238169D+01
               161           162           163           164           165 
      1   0.666821D+00 -0.238169D+01 -0.811743D+01 -0.293770D+01 -0.234772D+01
      2   0.119165D+01 -0.131681D+01 -0.293770D+01 -0.517963D+00 -0.189834D-01
      3  -0.131681D+01  0.178458D+01 -0.234772D+01 -0.189834D-01 -0.889488D+00
               166           167           168           169           170 
      1  -0.582233D+01 -0.120865D+01 -0.786570D+00  0.280981D+00  0.109808D+00
      2  -0.120865D+01 -0.115547D+01 -0.181341D+01  0.109808D+00 -0.427263D+00
      3  -0.786570D+00 -0.181341D+01 -0.209145D+01 -0.633069D+00 -0.138321D+01
               171           172           173           174           175 
      1  -0.633069D+00  0.776236D+01  0.247188D+01  0.617916D+00  0.658836D+01
      2  -0.138321D+01  0.247188D+01  0.952882D+00  0.389429D+00  0.137410D+01
      3  -0.638554D+01  0.617916D+00  0.389429D+00  0.208709D+01  0.987629D+00
               176           177           178           179           180 
      1   0.137410D+01  0.987629D+00  0.267316D+01  0.583308D+00  0.132727D+01
      2   0.565055D+00 -0.337749D+00  0.583308D+00 -0.832236D+00  0.594633D+00
      3  -0.337749D+00  0.141717D+01  0.132727D+01  0.594633D+00 -0.125875D+01
               181           182           183           184           185 
      1   0.491599D+01  0.255778D+01 -0.602722D+00 -0.130517D+02  0.428473D+01
      2   0.255778D+01  0.883698D+01 -0.205832D+01  0.428473D+01  0.336044D+01
      3  -0.602722D+00 -0.205832D+01  0.246988D+01  0.498488D+00 -0.209874D+01
               186           187           188           189           190 
      1   0.498488D+00  0.318539D+01 -0.410993D+00  0.370179D+01  0.405438D+02
      2  -0.209874D+01 -0.410993D+00 -0.279852D+01 -0.202078D+01 -0.900555D+01
      3  -0.860712D+00  0.370179D+01 -0.202078D+01  0.880003D+00  0.442128D+00
               191           192           193           194           195 
      1  -0.900555D+01  0.442128D+00 -0.525738D+01  0.299395D+01  0.131040D+01
      2   0.937668D+01 -0.107598D+01  0.299395D+01 -0.137468D+02  0.284685D+01
      3  -0.107598D+01  0.326104D+01  0.131040D+01  0.284685D+01 -0.735696D+00
               196           197           198           199           200 
      1  -0.384088D+00  0.140965D+01  0.643795D+01 -0.366321D+02  0.123265D+02
      2   0.140965D+01  0.205375D+01 -0.197551D+01  0.123265D+02 -0.917398D+01
      3   0.643795D+01 -0.197551D+01 -0.146520D+00 -0.757806D+00  0.175064D+01
               201           202           203           204           205 
      1  -0.757806D+00  0.197032D+02 -0.618739D+01  0.530533D+00 -0.228618D+01
      2   0.175064D+01 -0.618739D+01  0.792212D+01 -0.339110D-03  0.104314D+01
      3  -0.520238D+00  0.530533D+00 -0.339110D-03  0.179300D+01  0.116259D+00
               206           207           208           209           210 
      1   0.104314D+01  0.116259D+00 -0.119333D+02  0.548608D+01 -0.691015D+00
      2   0.870516D+00  0.386807D+01  0.548608D+01 -0.394920D+01  0.691785D+00
      3   0.386807D+01 -0.255009D+01 -0.691015D+00  0.691785D+00 -0.179452D-01
               211           212           213           214           215 
      1  -0.297812D+00  0.258985D+01 -0.607780D+00  0.893494D+00 -0.838222D+00
      2   0.258985D+01  0.115667D+01 -0.496928D+00 -0.838222D+00  0.293569D+00
      3  -0.607780D+00 -0.496928D+00 -0.799645D+00  0.441256D+00  0.684400D+00
               216           217           218           219           220 
      1   0.441256D+00 -0.143134D+01 -0.407432D+01  0.960286D+00 -0.508708D+01
      2   0.684400D+00 -0.407432D+01  0.172294D+01  0.196086D+00 -0.112105D+01
      3  -0.171508D+00  0.960286D+00  0.196086D+00 -0.522539D-01  0.507864D+00
               221           222           223           224           225 
      1  -0.112105D+01  0.507864D+00  0.105122D+01  0.410037D+00 -0.199132D+01
      2   0.244927D+01  0.193816D+01  0.410037D+00  0.152071D+01  0.381759D+01
      3   0.193816D+01  0.494147D+01 -0.199132D+01  0.381759D+01 -0.316812D+01
               226           227           228           229           230 
      1  -0.100034D+01 -0.166783D+01  0.457052D+00 -0.548713D+00 -0.127330D+01
      2  -0.166783D+01 -0.233742D+01  0.607868D+00 -0.127330D+01 -0.855474D+01
      3   0.457052D+00  0.607868D+00 -0.437117D+00  0.320545D+00  0.191801D+01
               231           232           233           234           235 
      1   0.320545D+00  0.228059D+00  0.462045D+00 -0.328053D-01  0.580623D+01
      2   0.191801D+01  0.462045D+00  0.220036D+01 -0.703819D+00 -0.315996D+01
      3  -0.133568D+01 -0.328053D-01 -0.703819D+00  0.452969D+00  0.388180D+00
               236           237           238           239           240 
      1  -0.315996D+01  0.388180D+00 -0.453921D+01  0.448767D+01 -0.945152D+00
      2   0.277966D+01 -0.396538D+00  0.448767D+01 -0.569065D+01  0.910960D+00
      3  -0.396538D+00  0.402079D+00 -0.945152D+00  0.910960D+00 -0.820456D+00
               241           242           243           244           245 
      1   0.731955D+00 -0.102775D+01 -0.190612D+00  0.206461D+01  0.290473D+01
      2  -0.102775D+01  0.117671D+01 -0.343284D+00  0.290473D+01  0.211735D+01
      3  -0.190612D+00 -0.343284D+00  0.294912D+00 -0.789152D+00 -0.584538D+00
               246           247           248           249           250 
      1  -0.789152D+00  0.342349D+01  0.350253D+01 -0.930765D+00 -0.965091D+00
      2  -0.584538D+00  0.350253D+01  0.691382D+01 -0.163834D+01 -0.974700D+00
      3   0.585487D+00 -0.930765D+00 -0.163834D+01  0.135390D+01  0.585286D+00
               251           252           253           254           255 
      1  -0.974700D+00  0.585286D+00 -0.367076D+00 -0.280746D+00 -0.959123D+00
      2  -0.183866D+01  0.592711D+00 -0.280746D+00 -0.518888D+00 -0.935950D-02
      3   0.592711D+00 -0.486137D+00 -0.959123D+00 -0.935950D-02 -0.468917D+00
               256           257           258           259           260 
      1  -0.205520D+01  0.233366D+01  0.109520D+01 -0.316391D+01  0.155431D+01
      2   0.233366D+01 -0.498655D+01 -0.271127D+01  0.155431D+01 -0.289838D+01
      3   0.109520D+01 -0.271127D+01 -0.265347D+01  0.172195D+01 -0.282665D+01
               261           262           263           264           265 
      1   0.172195D+01  0.407622D+00 -0.116963D-01  0.134113D+01 -0.585985D+00
      2  -0.282665D+01 -0.116963D-01 -0.326067D+00 -0.296495D+00  0.131521D+01
      3  -0.312520D+01  0.134113D+01 -0.296495D+00  0.609241D-01 -0.975849D+00
               266           267           268           269           270 
      1   0.131521D+01 -0.975849D+00  0.441434D+01 -0.162508D+01  0.304253D+01
      2  -0.183598D+01  0.144214D+01 -0.162508D+01  0.175497D+01 -0.242252D+01
      3   0.144214D+01 -0.207961D+01  0.304253D+01 -0.242252D+01  0.651183D+01
               271           272           273           274           275 
      1   0.146486D+02  0.145620D+01 -0.111913D+01  0.481313D+01  0.161403D+01
      2   0.145620D+01  0.948449D+00 -0.817520D-01  0.161403D+01  0.120537D+01
      3  -0.111913D+01 -0.817520D-01  0.117545D+01 -0.297643D+00 -0.392507D+00
               276           277           278           279 
      1  -0.297643D+00 -0.190576D+01 -0.122779D+00  0.186859D+01
      2  -0.392507D+00 -0.122779D+00 -0.455847D+00 -0.126718D+00
      3   0.300209D+00  0.186859D+01 -0.126718D+00 -0.246192D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.220605D+01  0.243681D+01 -0.225099D+00  0.208462D+01 -0.618495D+00
      2   0.187551D+01  0.860182D+01 -0.128656D+01  0.682183D+01 -0.685964D+01
      3  -0.165861D+02  0.413154D+02 -0.932786D+01  0.194705D+02 -0.268486D+02
                 6             7             8             9            10 
      1  -0.852865D-01 -0.460801D+01  0.856340D+01 -0.208498D+01 -0.919224D-01
      2   0.200955D+01 -0.195138D+02  0.314705D+01  0.213026D+00 -0.163509D+00
      3   0.550355D+01  0.153723D+01  0.287066D+01 -0.102549D+00  0.318847D+02
                11            12            13            14            15 
      1   0.337252D+01 -0.121564D+01  0.617081D-01  0.953028D+00  0.540336D+00
      2   0.951766D+01 -0.588884D+01  0.480454D+01 -0.603482D+01  0.135644D+01
      3   0.350738D+02 -0.959394D+01  0.671768D+02 -0.332497D+02  0.409758D+01
                16            17            18            19            20 
      1  -0.445552D+01  0.695553D+01 -0.174390D+01 -0.320595D+01 -0.518647D+00
      2  -0.201465D+02  0.297504D+01  0.801359D+00 -0.464774D+01 -0.732552D+01
      3  -0.133987D+02  0.508702D+01 -0.493588D+00  0.143510D+02 -0.380746D+02
                21            22            23            24            25 
      1   0.254381D+00 -0.471328D+00 -0.151445D+00 -0.105624D+01 -0.501367D+01
      2   0.943764D+00 -0.285916D+01  0.292015D+01  0.571616D+00 -0.185651D+02
      3   0.868888D+01 -0.829930D+01  0.679453D+01 -0.233995D+01  0.711936D+01
                26            27            28            29            30 
      1   0.306266D+01 -0.974191D+00 -0.660838D+00  0.127245D+01  0.476386D+00
      2   0.750361D+01 -0.170816D+01 -0.121303D+01  0.265109D+01  0.900313D+00
      3  -0.235176D+01 -0.145594D+01 -0.337639D+02  0.118853D+02 -0.126329D+01
                31            32            33            34            35 
      1   0.441660D+01  0.476421D+01  0.956742D-01  0.322317D+01  0.118207D+02
      2   0.356304D+01 -0.163248D+01  0.409180D+00 -0.115341D+02  0.165482D+01
      3   0.323037D+02 -0.119293D+02 -0.268121D+00 -0.455252D+01 -0.831768D+00
                36            37            38            39            40 
      1  -0.277862D+01  0.804971D-01  0.615867D+00  0.603711D+01  0.293696D+01
      2   0.266603D+00 -0.410182D+01  0.158828D+01  0.123841D+01 -0.230769D+01
      3  -0.344185D+01 -0.180940D+02  0.584532D+01 -0.168024D+01  0.745893D+01
                41            42            43            44            45 
      1  -0.421370D+00 -0.163546D+01  0.169118D+02  0.433568D+01 -0.147405D+01
      2  -0.234675D+01 -0.120944D+01 -0.837882D+01 -0.698423D+01  0.217141D+01
      3   0.414116D+00 -0.137088D+01 -0.178191D+01 -0.621702D+00 -0.672202D+01
                46            47            48            49            50 
      1   0.257495D+00 -0.288473D+01 -0.499535D+01 -0.285117D+01 -0.432940D+00
      2   0.609217D+01 -0.781395D+01  0.189232D+01 -0.567736D+01  0.657601D+01
      3   0.354971D+02 -0.330688D+02  0.675485D+01 -0.661156D+01  0.243016D+02
                51            52            53            54            55 
      1  -0.287809D+01 -0.919344D+01 -0.413166D+01  0.380352D+01  0.655034D+00
      2  -0.134138D+01 -0.153314D+02  0.297004D+00  0.164364D+01  0.742976D+01
      3  -0.405475D+01  0.432766D+01 -0.283724D+01  0.519900D+01  0.343285D+02
                56            57            58            59            60 
      1  -0.409614D+01 -0.368332D+01 -0.163684D+01  0.636237D+00 -0.178164D+01
      2  -0.891673D+01 -0.290697D+01 -0.669265D+01  0.558678D+01 -0.270523D+01
      3  -0.335762D+02  0.824158D+01 -0.588707D+01  0.301028D+02 -0.393426D+01
                61            62            63            64            65 
      1  -0.795049D+01 -0.246344D+01  0.188183D+01 -0.562836D+00 -0.516525D+00
      2  -0.196149D+02 -0.251545D+01  0.544937D+01  0.681703D+00  0.744751D+00
      3   0.585202D+01 -0.183806D+01  0.978234D+01  0.315892D+00 -0.617870D-01
                66            67            68            69            70 
      1  -0.131720D+01 -0.717179D+00 -0.155731D+01 -0.285395D+01 -0.809577D+00
      2   0.325032D+00  0.123336D+01 -0.529399D+00  0.173963D+01 -0.212170D+01
      3   0.206126D+00  0.339357D+01 -0.562017D+01  0.124214D+01  0.117307D-01
                71            72            73            74            75 
      1   0.256389D+01  0.204386D+00 -0.460589D+00  0.411799D+00  0.250286D+01
      2  -0.102275D+01  0.106229D+00 -0.161986D+01  0.218004D+00  0.176426D+01
      3   0.141827D+01  0.263229D+00 -0.102517D+02  0.174224D+01 -0.216701D+00
                76            77            78            79            80 
      1  -0.131233D+01  0.316830D+00 -0.376778D+01 -0.277633D+01  0.866900D+00
      2  -0.453782D+00  0.321140D+00 -0.243113D+01 -0.197556D+01 -0.365999D+00
      3   0.376739D+01  0.572940D+00  0.764406D+00  0.629515D+00 -0.197688D+00
                81            82            83            84            85 
      1   0.665960D+00  0.641263D+00  0.363587D+00 -0.189407D+01  0.645802D+00
      2   0.821250D+00  0.129727D+01  0.763953D+00  0.618780D+00  0.101859D+01
      3   0.115766D+01  0.607896D+01  0.323291D+01 -0.130229D+01  0.495389D+01
                86            87            88            89            90 
      1   0.118837D+01 -0.518238D+01  0.126839D+01  0.205862D+01  0.712490D+00
      2   0.112689D+01  0.986242D+00 -0.888988D+00  0.287694D+00 -0.621620D+00
      3   0.361392D+01 -0.143331D+01 -0.152868D+01 -0.167393D+01 -0.304901D+00
                91            92            93            94            95 
      1   0.254730D+01  0.108611D+01 -0.162713D+01  0.564908D+01  0.522648D+00
      2  -0.397816D+01 -0.179540D+01 -0.584539D+01 -0.210965D+01 -0.106650D+02
      3   0.109650D+02  0.182337D+01  0.206569D+01  0.228869D+02 -0.141778D+02
                96            97            98            99           100 
      1  -0.213015D+01 -0.197414D+01  0.563745D+01  0.989207D+00  0.357180D+01
      2  -0.173749D+01 -0.329928D+02  0.969686D+00  0.554076D+01 -0.107860D+02
      3   0.102639D+02 -0.118039D+01  0.138258D+02  0.718804D+01  0.519302D+01
               101           102           103           104           105 
      1  -0.653705D+01  0.855444D+00 -0.243236D+01  0.415211D+00 -0.124404D+02
      2  -0.738065D+00  0.168320D+02 -0.247775D+01  0.197881D+02  0.336425D+01
      3  -0.143976D+02 -0.335301D+00 -0.811018D+01  0.130082D+01 -0.168171D+02
               106           107           108           109           110 
      1   0.311941D+01 -0.634273D+01 -0.376217D+01 -0.310224D+01  0.222653D+01
      2   0.173176D+02  0.240009D+00 -0.593865D+01  0.110106D+02  0.610588D+01
      3   0.670636D+01 -0.156847D+02 -0.543891D+01 -0.869946D+01  0.586785D+01
               111           112           113           114           115 
      1   0.987375D+01 -0.849625D+01 -0.760572D+01 -0.520520D+01  0.900903D+01
      2   0.285072D+01  0.660163D+01  0.511999D+01 -0.912771D+01  0.469653D+01
      3  -0.814229D+01  0.613849D+01  0.169448D+02 -0.443648D+01 -0.126627D+02
               116           117           118           119           120 
      1   0.175345D+01  0.485469D+01  0.148439D+01 -0.103916D+01  0.110729D+01
      2  -0.249262D+01  0.509198D+01  0.425636D+01 -0.151125D+01  0.548605D+01
      3  -0.871699D+01 -0.395171D+01  0.907250D+01 -0.700197D+01  0.100094D+00
               121           122           123           124           125 
      1  -0.127652D+01  0.182386D+01 -0.284999D+01  0.984701D+00 -0.333818D+00
      2  -0.164556D+01  0.577712D+01 -0.538813D+01  0.364909D+01 -0.423091D+01
      3  -0.128809D+01  0.185397D+02 -0.503406D+01 -0.968478D+00 -0.640715D+01
               126           127           128           129           130 
      1   0.970540D+00 -0.271640D+01  0.317706D+01 -0.110919D+01  0.143336D+01
      2   0.320917D+01 -0.423630D+01  0.392193D+01 -0.585931D+01  0.362810D+01
      3   0.299408D+01 -0.520389D+01  0.432304D+01 -0.216640D+01  0.382030D+01
               131           132           133           134           135 
      1  -0.920113D+01  0.348618D+01 -0.589043D+00  0.516509D+01 -0.323701D+01
      2  -0.102240D+02  0.984003D+01 -0.317522D+01  0.572117D+01 -0.906585D+01
      3  -0.139172D+02  0.908597D+01 -0.410059D+00  0.610478D+01 -0.577822D+01
               136           137           138           139           140 
      1  -0.253304D+01 -0.247393D+01  0.724273D+00 -0.254204D+01 -0.981286D+00
      2   0.102974D+02  0.716273D+00  0.690395D+01  0.659271D+00 -0.992386D+00
      3  -0.716972D+01 -0.589028D+01  0.113649D+01 -0.428222D+01 -0.117000D+01
               141           142           143           144           145 
      1   0.690828D+00  0.194326D+00  0.155003D+01 -0.756407D-01  0.184626D+01
      2   0.553794D+00  0.144939D+01  0.611756D+00  0.246265D+00 -0.435212D+01
      3   0.276468D+01  0.122433D-01  0.285989D+01 -0.979045D+00  0.360580D+01
               146           147           148           149           150 
      1   0.305728D+01  0.195807D+00  0.181543D+01  0.816062D+01  0.299100D+01
      2  -0.407292D+01 -0.639840D+01 -0.227888D+01 -0.129851D+02 -0.127342D+02
      3   0.449572D+01  0.243799D+01  0.381824D+01  0.149865D+02  0.109606D+02
               151           152           153           154           155 
      1  -0.488830D+00  0.513352D+01  0.287005D+01  0.372417D+01 -0.112154D-01
      2  -0.348269D+01 -0.924502D+01 -0.142837D+02 -0.114835D+02 -0.246542D+01
      3  -0.563962D+00  0.799245D+01  0.870000D+01 -0.684311D+01 -0.193999D+02
               156           157           158           159           160 
      1  -0.684356D+01  0.589886D+01  0.461589D+01 -0.529421D+01 -0.434534D+01
      2   0.180346D+02 -0.208109D+01 -0.529924D+01  0.121750D+02  0.648582D+01
      3   0.410669D+00 -0.168195D+02 -0.263628D+02  0.190436D+01  0.352850D+01
               161           162           163           164           165 
      1   0.824964D+00  0.260014D+01  0.423300D+01  0.235027D+01 -0.322243D+01
      2   0.478165D+01 -0.103242D+02 -0.890966D+01 -0.539707D+01  0.212502D+01
      3   0.540181D+01 -0.334340D+01 -0.677597D+01 -0.427574D+01  0.196361D+01
               166           167           168           169           170 
      1   0.732687D+01  0.503657D+01  0.447427D+00 -0.104570D+01  0.605274D+01
      2  -0.922974D+01  0.465354D+01  0.845777D+01 -0.274160D+01  0.432908D+01
      3  -0.480706D+00 -0.599356D+01 -0.909762D+01  0.344417D+01 -0.231119D+01
               171           172           173           174           175 
      1  -0.428296D+01 -0.711530D+01 -0.338312D+01  0.127424D+01 -0.852746D+01
      2   0.202647D+02  0.175994D+02  0.434775D+01 -0.578705D+01  0.923469D+01
      3  -0.480164D+01  0.164924D+01  0.267604D+01  0.190315D+01  0.818830D+01
               176           177           178           179           180 
      1  -0.369119D+01 -0.103269D+01  0.817550D+00  0.412489D+00 -0.917252D+00
      2   0.378312D+01 -0.449650D+01 -0.284599D+01 -0.107295D+01  0.519238D+01
      3   0.170255D+01  0.938779D+00  0.178288D+01  0.963051D+00  0.453933D+00
               181           182           183           184           185 
      1   0.347326D+00  0.314175D+01  0.441459D+01  0.241202D+01  0.930159D+00
      2  -0.573933D+01  0.136067D+01  0.631918D+01 -0.375954D+01 -0.549366D+01
      3  -0.216011D+02  0.437582D+01 -0.165300D+01 -0.183746D+02 -0.665489D+01
               186           187           188           189           190 
      1  -0.233173D+01  0.104450D+02  0.501335D+01 -0.229100D+01 -0.114503D+01
      2  -0.160175D+01 -0.513578D+01 -0.879320D+01  0.209800D+01 -0.325779D+01
      3   0.356765D+01  0.628932D+01  0.358040D+01 -0.122520D+01  0.146096D+02
               191           192           193           194           195 
      1   0.260069D+01 -0.287263D+01  0.215621D+01  0.130862D+01  0.276531D+01
      2   0.494159D+01 -0.109253D+01  0.958070D+01 -0.917276D+00 -0.772562D+00
      3   0.145555D+02 -0.381799D+01  0.344607D+02 -0.425438D+01  0.263363D-02
               196           197           198           199           200 
      1  -0.882819D+00  0.128597D+02 -0.365254D+01 -0.620354D+00 -0.285246D+01
      2   0.144408D+00  0.193972D+01 -0.291289D+00 -0.358296D+01 -0.622958D+01
      3  -0.939384D+01 -0.533147D-01  0.513297D+01 -0.363097D+02 -0.254780D+02
               201           202           203           204           205 
      1   0.119078D+01 -0.223141D+01  0.174709D+01 -0.340679D+01 -0.710671D+01
      2   0.442472D+01 -0.401997D+01  0.786391D+01  0.156127D+01 -0.159303D+02
      3   0.710871D+01  0.129117D+02  0.754092D+01 -0.539087D+01  0.313227D+01
               206           207           208           209           210 
      1   0.320578D+01  0.640486D+00  0.104953D+01 -0.227682D+01  0.336439D+01
      2   0.153655D+02 -0.626657D+01  0.155777D+01 -0.632082D+01  0.145956D+02
      3  -0.700704D+01 -0.695597D+01 -0.549710D+01 -0.369907D+02  0.556295D+01
               211           212           213           214           215 
      1   0.413345D+00 -0.175792D+01 -0.465616D+01  0.146205D+01 -0.108763D+01
      2  -0.201347D+01 -0.276744D+01 -0.489904D+01 -0.468780D+01  0.313420D+01
      3  -0.225694D+01 -0.640916D+01  0.255471D+01  0.163620D+01  0.287685D+01
               216           217           218           219           220 
      1   0.109740D+01  0.669761D+00  0.899770D+00 -0.990408D+00 -0.974066D+00
      2  -0.624904D+00  0.694940D+01  0.347178D+01 -0.979045D+00  0.404425D+01
      3  -0.383399D+01  0.328147D+02  0.251432D+01 -0.485655D+01  0.176480D+02
               221           222           223           224           225 
      1   0.250769D+01  0.566206D+01 -0.994950D+01  0.867323D+01 -0.400144D+01
      2   0.878635D+01  0.312227D+02 -0.162432D+02  0.245029D+02 -0.202316D+02
      3  -0.283193D+02 -0.102418D+02 -0.414018D+01 -0.821160D+01 -0.249129D+02
               226           227           228           229           230 
      1   0.136853D+00 -0.252100D+00 -0.150556D+01  0.937611D-01 -0.871901D+00
      2   0.214514D+01  0.174669D+01 -0.343065D+00  0.147326D+01  0.424981D+01
      3   0.796802D+01  0.565766D+01 -0.184162D+01  0.567051D+01  0.166989D+02
               231           232           233           234           235 
      1  -0.402644D+01  0.947817D+00  0.276589D+01  0.343799D+00 -0.881887D+00
      2  -0.136238D+01 -0.548559D+00 -0.139080D+01  0.317860D+00 -0.195759D+01
      3  -0.421834D+01 -0.210430D+01 -0.471312D+01  0.897057D+00 -0.351779D+01
               236           237           238           239           240 
      1   0.733027D+00  0.149226D+01 -0.274341D+00 -0.582847D+00 -0.279733D+01
      2  -0.176440D-01  0.164232D+01 -0.120961D+01  0.160960D+01 -0.325334D+01
      3  -0.391500D+01  0.762546D+00 -0.441914D+01  0.127453D+02 -0.162167D+01
               241           242           243           244           245 
      1  -0.242106D+01  0.127390D+01  0.461993D+00  0.116645D+00 -0.125621D+00
      2  -0.228979D+01 -0.551521D+00  0.120408D+01 -0.121959D+01 -0.907744D+00
      3   0.234186D+01 -0.272917D+01  0.164073D+01 -0.371819D+01 -0.355825D+01
               246           247           248           249           250 
      1  -0.146140D+01  0.148142D+00 -0.295059D+00 -0.349370D+01 -0.260833D+00
      2   0.204980D+01 -0.129596D+01 -0.392043D+01  0.440420D+01 -0.110302D+01
      3   0.768755D+00 -0.238162D+01 -0.168039D+02  0.366247D+01  0.123576D+01
               251           252           253           254           255 
      1   0.191644D+01  0.540514D+00  0.102106D+00 -0.150966D+00 -0.105861D+01
      2   0.805145D+00 -0.108127D+01 -0.637767D+01 -0.253181D+00 -0.208168D+01
      3   0.443884D+01 -0.885873D+00  0.356369D+01  0.275088D+01  0.130531D+01
               256           257           258           259           260 
      1   0.946406D+00 -0.150630D+01 -0.449471D+01  0.203441D+01 -0.127085D+01
      2   0.399265D+01 -0.137196D+02 -0.153192D+02  0.678114D+01 -0.159513D+02
      3  -0.100338D+02  0.323939D+02  0.152348D+02 -0.555843D+01  0.175652D+02
               261           262           263           264           265 
      1  -0.445786D+01  0.421137D+00 -0.240596D+00 -0.302433D+00 -0.491196D+00
      2  -0.168886D+02  0.885188D+01 -0.173392D+01  0.598586D+00 -0.468328D+01
      3   0.165437D+02  0.991845D+00  0.774852D+00  0.584919D+00 -0.640705D+01
               266           267           268           269           270 
      1   0.859171D+00 -0.285876D+01  0.342977D+01 -0.345328D-01  0.755401D+01
      2   0.845547D+01 -0.125725D+02  0.132355D+02 -0.147461D+02  0.381271D+02
      3   0.135776D+02 -0.890688D+01  0.617790D+01 -0.119359D+02  0.149317D+02
               271           272           273           274           275 
      1  -0.994236D+00 -0.386457D+00  0.560484D+00 -0.215769D+00 -0.528566D+00
      2  -0.640668D+01 -0.781634D+00  0.917303D+01 -0.186074D+01 -0.223077D+01
      3  -0.205888D+02 -0.102736D+02  0.177206D+01 -0.124333D+02 -0.878996D+01
               276           277           278           279 
      1  -0.669348D+00  0.175436D+01  0.251599D+00 -0.343175D-01
      2   0.230031D+01  0.950538D+01 -0.633708D+00 -0.144691D+01
      3   0.262591D+01  0.247914D+01  0.313729D+01 -0.256806D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.919540D+02  0.583816D+02 -0.966517D+01 -0.794775D+02 -0.307333D+01
      2   0.513457D+02 -0.391424D+02  0.669465D+01  0.448629D+02  0.405181D+01
      3   0.406084D+02 -0.192392D+02  0.297052D+01  0.346147D+02 -0.978478D+00
      4   0.555376D+02 -0.406115D+01 -0.207217D+01 -0.795900D+01 -0.470900D+01
      5  -0.184855D+02 -0.404919D+00  0.123365D+01 -0.283249D+01  0.363483D+01
      6   0.177077D+00  0.260799D+01  0.249732D+00  0.235783D+01 -0.325229D+01
                 6             7             8             9            10 
      1   0.261176D+01  0.243980D+02 -0.587143D+01 -0.111913D+02  0.100476D+03
      2  -0.406245D+01 -0.125509D+02  0.242324D+01 -0.284623D+00 -0.479921D+02
      3   0.145069D+01 -0.118471D+02  0.344819D+01  0.114759D+02 -0.524843D+02
      4   0.215764D+01 -0.150383D+01  0.142720D+01  0.648789D+00 -0.149421D+02
      5   0.562307D+00  0.134449D+01 -0.213256D+01  0.821365D+00  0.711500D+01
      6   0.741700D+00  0.157529D+01  0.314122D+01  0.240422D+01 -0.634213D+01
                11            12            13            14            15 
      1  -0.433810D+01 -0.615127D+01  0.825255D+02 -0.366366D+02  0.238344D+01
      2   0.127057D+00  0.340253D+01 -0.406203D+02  0.299320D+02 -0.599425D+01
      3   0.421104D+01  0.274874D+01 -0.419052D+02  0.670457D+01  0.361081D+01
      4   0.822638D+01 -0.270853D+01 -0.188018D+02  0.141303D+02 -0.184745D+01
      5  -0.753098D+01 -0.586869D+01  0.924606D+01 -0.252725D+01  0.634997D+00
      6   0.332196D+01  0.149504D+01 -0.244627D+01 -0.348472D+01 -0.497761D-01
                16            17            18            19            20 
      1  -0.267175D+02  0.747705D+01 -0.800430D+01  0.579267D+02 -0.614051D+02
      2   0.135745D+02 -0.625907D+01 -0.497387D+00 -0.344044D+02  0.468147D+02
      3   0.131430D+02 -0.121799D+01  0.850168D+01 -0.235223D+02  0.145904D+02
      4   0.627360D+01 -0.276195D+01  0.307800D+01 -0.501540D+02  0.203585D+01
      5  -0.131050D+01  0.306073D+01  0.857294D+00  0.200970D+02 -0.111353D+00
      6   0.378537D+01  0.481630D+01  0.205616D+01 -0.362597D+00 -0.312126D+01
                21            22            23            24            25 
      1   0.111231D+02  0.381578D+01  0.335510D+02 -0.823759D+01 -0.449141D+01
      2  -0.897844D+01 -0.125028D+02 -0.341316D+02  0.876916D+01  0.605990D+01
      3  -0.214468D+01  0.868704D+01  0.580580D+00 -0.531567D+00 -0.156848D+01
      4   0.108092D+01  0.206571D+02 -0.518625D+01  0.358776D+01 -0.280821D+01
      5  -0.478938D+01 -0.952213D+01  0.563247D+01  0.561526D+01  0.354831D+01
      6   0.136551D+01  0.798759D+01  0.914421D+01  0.679779D+00  0.108499D+01
                26            27            28            29            30 
      1  -0.375495D+01 -0.650218D+01 -0.316689D+01  0.564157D+01  0.866155D+00
      2   0.790323D+01 -0.823494D+01 -0.107740D+02 -0.805467D+01  0.205914D+00
      3  -0.414827D+01  0.147371D+02  0.139409D+02  0.241310D+01 -0.107207D+01
      4   0.601368D+01  0.216850D+01  0.141325D+02  0.110345D+02 -0.165206D+00
      5   0.863034D+01 -0.260774D+01 -0.177134D+02  0.282369D+01  0.925276D+01
      6   0.409936D+01  0.106795D+01  0.895225D+01  0.644610D-01 -0.240286D+01
                31            32            33            34            35 
      1   0.246135D+02 -0.750860D+02  0.146291D+02 -0.650764D+01  0.165977D+02
      2  -0.175056D+02  0.707305D+02 -0.182810D+02  0.316870D+01 -0.170785D+02
      3  -0.710799D+01  0.435554D+01  0.365196D+01  0.333895D+01  0.480818D+00
      4  -0.411022D+02  0.171116D+00  0.345236D+01  0.191634D+02  0.165024D+01
      5   0.157482D+02  0.246057D+01 -0.161420D+01  0.280752D+02 -0.579292D+01
      6   0.176683D+01 -0.110969D+02  0.102122D+00 -0.567163D+01  0.722990D+01
                36            37            38            39            40 
      1  -0.380330D+01 -0.585647D+01  0.704537D+02 -0.168915D+02 -0.201988D+02
      2  -0.364256D+01 -0.104724D+01 -0.591012D+02  0.103047D+02  0.204975D+02
      3   0.744586D+01  0.690371D+01 -0.113525D+02  0.658676D+01 -0.298696D+00
      4   0.198414D+01  0.814957D+01 -0.183734D+02  0.315609D+01  0.143727D+02
      5  -0.105248D+01 -0.914861D+00 -0.785261D+00  0.438193D+01  0.476119D+01
      6   0.492788D+01 -0.277983D+01  0.719545D+01 -0.116470D+02 -0.130509D+02
                41            42            43            44            45 
      1   0.378884D+02 -0.124930D+02  0.684919D+01 -0.175961D+02 -0.978415D+01
      2  -0.390999D+02  0.112224D+02 -0.139046D+02  0.196739D+02  0.396405D+00
      3   0.121148D+01  0.127060D+01  0.705536D+01 -0.207778D+01  0.938775D+01
      4   0.981900D+01 -0.778465D+01  0.166273D+01 -0.630184D+01 -0.856341D+01
      5  -0.892149D+01 -0.431646D+01  0.192389D+02 -0.595970D+01  0.491565D+01
      6   0.117892D+02  0.236538D+01 -0.191700D+02  0.112957D+02  0.807525D+00
                46            47            48            49            50 
      1   0.932254D+01 -0.529174D+02  0.104718D+02  0.154160D+02  0.484197D+01
      2  -0.688800D+01  0.459173D+02 -0.557226D+01 -0.135218D+02 -0.101539D+02
      3  -0.243453D+01  0.700008D+01 -0.489952D+01 -0.189424D+01  0.531191D+01
      4   0.288926D+01 -0.552084D+01  0.207298D+01  0.278824D+01 -0.965273D+01
      5   0.316916D+00  0.601241D+01 -0.228858D+01  0.110030D+00  0.205586D+01
      6   0.403055D+01 -0.269077D+01  0.850875D+01  0.386054D+01  0.139219D+02
                51            52            53            54            55 
      1  -0.804622D+01 -0.537129D+01 -0.477742D+01 -0.214131D+02  0.173946D+01
      2   0.100938D+02  0.772103D+01  0.149536D+02  0.847321D+01 -0.421123D+01
      3  -0.204762D+01 -0.234974D+01 -0.101762D+02  0.129399D+02  0.247177D+01
      4   0.473194D+01  0.181446D+01  0.707456D+01  0.561810D+01 -0.409579D+02
      5   0.348416D+00  0.450025D+01  0.105845D+01 -0.529915D+00  0.810855D+01
      6   0.349020D+01  0.498150D+01  0.206693D+02 -0.781918D+01  0.383286D+01
                56            57            58            59            60 
      1  -0.566664D+02  0.116444D+02  0.128502D+01  0.264453D+02 -0.115539D+02
      2   0.378022D+02 -0.444102D+01 -0.444246D+01 -0.218514D+02  0.100647D+02
      3   0.188642D+02 -0.720340D+01  0.315744D+01 -0.459384D+01  0.148926D+01
      4  -0.270539D+02  0.664448D+01  0.314243D+02 -0.147430D+02 -0.414134D+00
      5   0.772271D+01 -0.120152D+02 -0.793984D+01 -0.230530D+00 -0.143959D+01
      6  -0.165382D+01  0.693378D+01  0.252539D+01  0.112801D+02  0.203756D+01
                61            62            63            64            65 
      1  -0.148160D+01 -0.845727D+01 -0.186123D+02  0.188105D+01 -0.595333D+00
      2   0.347305D+01  0.150508D+02  0.237670D+01 -0.910096D-01  0.152419D+01
      3  -0.199145D+01 -0.659353D+01  0.162356D+02 -0.179004D+01 -0.928860D+00
      4  -0.523874D+01  0.232921D+01 -0.787803D+01  0.734257D+01  0.899328D+01
      5   0.183469D+01 -0.992731D+01  0.794982D+01 -0.166763D+01 -0.228028D+01
      6   0.184362D+01  0.151631D+02 -0.503043D+01 -0.152360D+01 -0.118182D+01
                66            67            68            69            70 
      1   0.361981D+00 -0.353734D+01 -0.157967D+02  0.421613D+01  0.116881D+01
      2   0.367738D-01  0.499417D+01  0.173990D+02 -0.171046D+01 -0.507863D+00
      3  -0.398755D+00 -0.145683D+01 -0.160222D+01 -0.250567D+01 -0.660947D+00
      4  -0.172559D+01  0.117727D+02  0.168901D+02 -0.355495D+01 -0.279313D+01
      5   0.262181D+01 -0.358474D+01 -0.378254D+01  0.372852D+01  0.203956D+01
      6   0.121810D+01 -0.278636D+01 -0.672693D+01  0.532027D+01  0.235996D+01
                71            72            73            74            75 
      1   0.316402D+01 -0.364218D+01  0.203945D+01  0.574028D+01 -0.103068D+01
      2  -0.259257D+01  0.274980D+01  0.994113D+01 -0.159179D+02  0.171241D+01
      3  -0.571451D+00  0.892384D+00 -0.119806D+02  0.101776D+02 -0.681733D+00
      4  -0.427528D+01  0.258389D+01 -0.279887D+02  0.247054D+02 -0.373143D+01
      5   0.955483D+00 -0.132511D+01  0.401074D+01 -0.383031D+01  0.403462D+01
      6   0.337784D+01 -0.276800D+01 -0.257201D+01  0.292232D+01 -0.385065D+01
                76            77            78            79            80 
      1   0.104527D+02 -0.219724D+02  0.379331D+01 -0.280606D+01  0.451569D+01
      2  -0.221400D+02  0.386257D+02 -0.459466D+01  0.554407D+01 -0.656391D+01
      3   0.116873D+02 -0.166532D+02  0.801353D+00 -0.273801D+01  0.204822D+01
      4   0.274166D+02 -0.346002D+02  0.539894D+01 -0.533667D+01  0.609423D+01
      5  -0.522368D+01  0.558682D+01 -0.443709D+01  0.113415D+01 -0.337263D+01
      6   0.588488D+01 -0.695335D+01  0.703234D+01 -0.613509D-01  0.463619D+01
                81            82            83            84            85 
      1  -0.149290D+01 -0.654084D+01 -0.108827D+02  0.312991D+01 -0.831577D+01
      2   0.286299D+01  0.975874D+01  0.159446D+02 -0.311972D+01  0.112607D+02
      3  -0.137009D+01 -0.321790D+01 -0.506188D+01 -0.101958D-01 -0.294498D+01
      4  -0.369345D+01  0.869791D+01  0.164359D+02 -0.364923D+01  0.970998D+01
      5   0.190250D+01 -0.142893D+01 -0.241762D+01  0.270694D+01 -0.162524D+01
      6  -0.277060D+01 -0.312422D+01 -0.469872D+01  0.372719D+01 -0.326542D+01
                86            87            88            89            90 
      1  -0.490877D+02  0.118604D+02  0.270269D+01  0.127892D+02 -0.474549D+01
      2   0.671267D+02 -0.126907D+02 -0.361791D+01 -0.155892D+02  0.532029D+01
      3  -0.180390D+02  0.830223D+00  0.915218D+00  0.279996D+01 -0.574806D+00
      4   0.218768D+02 -0.449871D+01 -0.305464D+01 -0.527957D+01  0.322935D+01
      5  -0.215546D+01  0.195345D+01  0.102288D+01  0.263827D+01 -0.162115D+01
      6  -0.168967D+02  0.114293D+02  0.760924D+00  0.759682D+01 -0.464715D+01
                91            92            93            94            95 
      1   0.207368D+01  0.546254D+01 -0.126205D+02  0.305916D+00 -0.904143D+01
      2   0.235598D+01 -0.525874D+00  0.941109D+00  0.594719D+01 -0.271717D+01
      3  -0.442966D+01 -0.493667D+01  0.116794D+02 -0.625310D+01  0.117586D+02
      4  -0.389138D+01 -0.187095D+02 -0.296233D+01 -0.222354D+02  0.290617D+02
      5  -0.494622D+00 -0.471696D+01 -0.192495D+02  0.140374D+00 -0.173996D+02
      6  -0.317404D+01  0.511281D+00  0.703251D+00 -0.372039D+01  0.350779D+01
                96            97            98            99           100 
      1  -0.163843D+01  0.107415D+00 -0.258775D+01 -0.180007D+02 -0.737711D+02
      2   0.213899D+01 -0.143720D+02  0.758447D+01  0.173758D+02  0.424830D+02
      3  -0.500562D+00  0.142646D+02 -0.499672D+01  0.624979D+00  0.312882D+02
      4  -0.201164D+02 -0.500291D+01 -0.219301D+02 -0.357261D+01  0.231298D+01
      5  -0.397254D+01 -0.570609D+02  0.265270D+01  0.182506D+02  0.389951D+02
      6   0.250332D+01  0.254136D+01 -0.128154D+01 -0.176707D+01  0.137119D+00
               101           102           103           104           105 
      1  -0.147357D+01  0.276290D+02 -0.831115D+01  0.332476D+02  0.627463D+01
      2   0.473054D+00 -0.805590D+01  0.212246D+01 -0.731762D+01 -0.210851D+01
      3   0.100051D+01 -0.195731D+02  0.618869D+01 -0.259300D+02 -0.416613D+01
      4   0.198822D+02  0.918100D+00  0.185444D+02 -0.265315D+01  0.256051D+02
      5   0.269095D+01  0.879796D+01  0.437699D+01  0.166129D+02  0.429284D+01
      6  -0.121118D+02 -0.144309D+01 -0.717532D+01 -0.242651D+01 -0.203062D+02
               106           107           108           109           110 
      1   0.680852D+01  0.490995D+01  0.175920D+02 -0.572795D+02 -0.212968D+02
      2   0.132990D+02 -0.400387D+01 -0.213438D+02  0.191138D+02  0.616419D+00
      3  -0.201075D+02 -0.906082D+00  0.375182D+01  0.381657D+02  0.206803D+02
      4  -0.437890D+00  0.222265D+02  0.212461D+01 -0.389975D+02 -0.248965D+02
      5   0.362054D+02 -0.266453D+00 -0.288150D+02  0.108025D+02  0.119906D+01
      6  -0.256091D+01 -0.151513D+02 -0.384889D+01  0.145935D+01  0.362395D+01
               111           112           113           114           115 
      1   0.731448D+01 -0.316095D+02 -0.143762D+02  0.103930D+02  0.298087D+02
      2  -0.426059D+01  0.681303D+01  0.158107D+01 -0.510394D+00 -0.101926D+02
      3  -0.305389D+01  0.247964D+02  0.127951D+02 -0.988261D+01 -0.196161D+02
      4   0.460054D+01 -0.150582D+02 -0.241467D+02  0.125801D+02  0.162104D+02
      5  -0.296142D+01  0.157629D+01  0.926055D+01 -0.634547D+01  0.155069D+02
      6  -0.448989D+01  0.424850D+01 -0.173783D+01 -0.130715D+01  0.218940D+01
               116           117           118           119           120 
      1   0.714101D+01  0.164528D+02  0.149415D+02 -0.123255D+02  0.676890D+01
      2  -0.334195D+00 -0.964363D+00 -0.170900D+01  0.246230D+01 -0.188726D+01
      3  -0.680682D+01 -0.154884D+02 -0.132325D+02  0.986317D+01 -0.488165D+01
      4   0.183252D+02  0.350447D+01 -0.244469D+02  0.227333D+02 -0.248376D+01
      5   0.191840D+01  0.331932D+01  0.895323D+01 -0.190841D+01  0.107993D+02
      6  -0.166179D+01 -0.191519D+01 -0.217084D+01  0.125760D+01 -0.119099D+01
               121           122           123           124           125 
      1  -0.187801D+02  0.393302D+01 -0.103272D+01  0.877393D+01  0.175240D+00
      2   0.486547D+01  0.118454D+02 -0.266981D+01 -0.325786D+01 -0.350917D+01
      3   0.139147D+02 -0.157784D+02  0.370253D+01 -0.551607D+01  0.333393D+01
      4   0.232499D+02 -0.441158D+02  0.107633D+02 -0.422244D+01  0.142648D+02
      5  -0.287463D+01  0.978868D+01 -0.106756D+02  0.137796D+02 -0.945355D+01
      6   0.116430D+01 -0.354352D+01  0.428809D+01 -0.265121D+01  0.612646D+01
               126           127           128           129           130 
      1   0.452241D+01 -0.139184D+01  0.836439D+01 -0.112903D+02  0.110385D+02
      2  -0.185712D+01 -0.442618D+00 -0.349786D+01  0.471872D+00 -0.688048D+01
      3  -0.266529D+01  0.183446D+01 -0.486653D+01  0.108184D+02 -0.415803D+01
      4  -0.102094D+02  0.438218D+01 -0.593097D+01  0.246350D+01 -0.361918D+00
      5   0.666959D+01 -0.176419D+01 -0.706133D+00 -0.470115D+01 -0.818893D+01
      6  -0.318972D+01 -0.402236D+01  0.565223D+01 -0.277981D+01  0.166538D+01
               131           132           133           134           135 
      1  -0.171903D+02  0.107703D+02 -0.543607D+01  0.704804D+01 -0.144287D+02
      2   0.572602D+01  0.332621D+01  0.174541D+01  0.187481D+01 -0.234736D+01
      3   0.114643D+02 -0.140966D+02  0.369065D+01 -0.892285D+01  0.167761D+02
      4   0.228149D+02 -0.146938D+02 -0.362872D+00 -0.105656D+02  0.963579D+01
      5  -0.103622D+02  0.159414D+02  0.244466D+01  0.739526D+01 -0.109306D+02
      6  -0.168699D+02  0.134935D+02 -0.143330D+00  0.108690D+02 -0.869927D+01
               136           137           138           139           140 
      1   0.110878D+03 -0.918597D+00 -0.201892D+02  0.227187D+01  0.638216D+01
      2  -0.662556D+02  0.291615D+00  0.185220D+02 -0.244715D+01 -0.455908D+01
      3  -0.446228D+02  0.626982D+00  0.166717D+01  0.175278D+00 -0.182308D+01
      4  -0.581059D+01  0.107946D+02  0.219895D+01  0.141998D+02  0.194130D+00
      5  -0.630128D+02  0.147800D+01  0.292552D+02 -0.228058D+01 -0.744172D+01
      6   0.250748D+01 -0.369295D+01 -0.147438D+01 -0.450568D+01 -0.819454D-01
               141           142           143           144           145 
      1  -0.965551D+00 -0.974440D+01 -0.130671D+01  0.102838D+02 -0.401582D+00
      2   0.131815D+01  0.101945D+02  0.519195D+00 -0.811996D+01 -0.883163D+00
      3  -0.352594D+00 -0.450055D+00  0.787514D+00 -0.216382D+01  0.128474D+01
      4  -0.604499D+01 -0.780218D+00 -0.384765D+01 -0.514515D-01 -0.417093D+01
      5   0.130213D+01  0.195427D+02  0.727918D+00 -0.938968D+01 -0.404409D+01
      6   0.429752D+01 -0.517647D-01  0.289696D+01  0.333218D+00  0.461629D+01
               146           147           148           149           150 
      1  -0.992577D+01 -0.134526D+02 -0.833439D+01 -0.213294D+02 -0.157526D+02
      2   0.430458D+01  0.218506D+01  0.576948D+01  0.101946D+02  0.218179D+00
      3   0.562119D+01  0.112675D+02  0.256492D+01  0.111348D+02  0.155344D+02
      4  -0.465271D+01 -0.220294D+01  0.287882D+01 -0.268257D+02 -0.209198D+02
      5   0.374620D+00 -0.367891D+01  0.823130D+01 -0.163336D+02 -0.208882D+02
      6   0.642758D+01  0.469025D+01  0.178954D-01  0.226692D+02  0.202297D+02
               151           152           153           154           155 
      1  -0.503350D+01 -0.117573D+02 -0.210151D+02  0.140924D+03  0.365892D+02
      2   0.227996D+01 -0.404058D+00 -0.225941D+01 -0.587725D+02 -0.828541D+01
      3   0.275354D+01  0.121614D+02  0.232745D+02 -0.821512D+02 -0.283038D+02
      4   0.282558D+01 -0.147877D+02 -0.154358D+02  0.672372D+02  0.457573D+02
      5   0.370267D+01 -0.135585D+02 -0.202939D+02  0.132608D+01  0.247928D+01
      6  -0.584074D+00  0.155565D+02  0.168946D+02 -0.205491D+01 -0.643523D+00
               156           157           158           159           160 
      1  -0.105939D+02  0.468440D+02  0.302982D+02 -0.541339D+01 -0.119145D+02
      2   0.160749D+01 -0.672097D+01  0.568849D+01 -0.149424D+01  0.216158D+01
      3   0.898640D+01 -0.401230D+02 -0.359867D+02  0.690763D+01  0.975296D+01
      4  -0.190689D+01  0.652615D+02  0.608833D+02 -0.856993D+01 -0.813264D+01
      5   0.284116D+02 -0.196470D+01 -0.371717D+01  0.172775D+02  0.291027D+02
      6   0.728876D+01  0.552171D+00  0.627339D+00  0.868149D+01  0.870989D+01
               161           162           163           164           165 
      1  -0.361303D+01  0.166714D+02  0.302202D+02  0.133160D+02  0.928993D+01
      2  -0.201343D+01 -0.815590D+01 -0.177917D+02 -0.387382D+01 -0.720537D+01
      3   0.562645D+01 -0.851550D+01 -0.124285D+02 -0.944222D+01 -0.208456D+01
      4  -0.121111D+02  0.149597D+02  0.239591D+02  0.137193D+02  0.190623D+01
      5   0.132454D+02 -0.124082D+02  0.188860D+02  0.309946D+01  0.158457D+02
      6   0.761516D+01 -0.243271D+01  0.980405D+01  0.174908D+01  0.570188D+00
               166           167           168           169           170 
      1   0.180097D+02 -0.458111D+01 -0.103378D+02 -0.584032D+01 -0.746463D+01
      2  -0.815678D+01  0.408436D+01  0.320557D+01 -0.186853D+01  0.170872D+01
      3  -0.985292D+01  0.496752D+00  0.713220D+01  0.770886D+01  0.575591D+01
      4   0.162005D+02  0.100457D+02  0.111934D+02 -0.257178D+01  0.223011D+01
      5   0.103302D+02  0.130379D+02  0.120068D+02  0.147710D+02  0.654663D+01
      6   0.352070D+01  0.889726D+01  0.129907D+02  0.113632D+01  0.106139D+02
               171           172           173           174           175 
      1  -0.252729D+02 -0.334209D+02 -0.840965D+01  0.928269D+01 -0.187567D+02
      2  -0.136814D+02  0.157193D+02  0.273108D+01  0.180088D+01  0.101579D+02
      3   0.389542D+02  0.177016D+02  0.567858D+01 -0.110836D+02  0.859879D+01
      4   0.467033D+01 -0.213691D+02 -0.987313D+01 -0.813706D+00 -0.144271D+02
      5   0.410673D+02 -0.126581D+02 -0.424159D+01 -0.101985D+02 -0.946619D+01
      6   0.120574D+02 -0.703278D+01 -0.447542D+01 -0.291314D+01 -0.470386D+01
               176           177           178           179           180 
      1  -0.956095D+01  0.340673D+01  0.174208D+01  0.898295D+00 -0.889116D+01
      2   0.465964D+01  0.246885D+01  0.355637D+01  0.393191D+00  0.135763D+01
      3   0.490131D+01 -0.587558D+01 -0.529845D+01 -0.129149D+01  0.753352D+01
      4  -0.618639D+01  0.888782D+00 -0.425235D+01 -0.370485D+00 -0.412054D+01
      5  -0.531696D+00 -0.844295D+01 -0.455184D+01 -0.186976D+01  0.246703D+01
      6  -0.286803D+01  0.966697D+00 -0.241709D+01  0.123424D+01 -0.167667D+01
               181           182           183           184           185 
      1   0.124816D+01  0.618030D+02 -0.139845D+02 -0.740969D+02  0.354449D+02
      2  -0.195522D+01 -0.412504D+02  0.523775D+01  0.479763D+02 -0.274219D+02
      3   0.707061D+00 -0.205526D+02  0.874680D+01  0.261206D+02 -0.802296D+01
      4   0.368306D+02  0.308652D+02 -0.823420D+01  0.337913D+02  0.237875D+02
      5  -0.510030D+01 -0.102333D+02  0.160803D+02 -0.520693D+00 -0.135610D+02
      6  -0.280256D+01  0.555553D+01 -0.886981D+01 -0.102891D+02  0.900142D+01
               186           187           188           189           190 
      1  -0.494333D+01  0.196789D+02 -0.139700D+02  0.223382D+01  0.156191D+03
      2   0.470189D+01 -0.207594D+02  0.136793D+02 -0.803471D+01 -0.871941D+02
      3   0.241437D+00  0.108046D+01  0.290716D+00  0.580090D+01 -0.689970D+02
      4  -0.133937D+02 -0.606665D+01 -0.154103D+02 -0.113779D+02 -0.218371D+02
      5  -0.405177D+01  0.261896D+02 -0.123376D+02  0.783890D+01  0.764005D+01
      6   0.322863D+01 -0.130180D+02  0.827303D+01  0.149675D+01  0.207870D+01
               191           192           193           194           195 
      1  -0.434975D+02  0.236910D+01  0.204384D+01 -0.296372D+02  0.130915D+02
      2   0.272120D+02 -0.143227D+01 -0.596379D+01  0.285576D+02 -0.137768D+02
      3   0.162855D+02 -0.936822D+00  0.391995D+01  0.107961D+01  0.685311D+00
      4   0.304003D+02 -0.569098D+01 -0.266873D+02 -0.593236D+02  0.149920D+02
      5  -0.689505D+01  0.332494D+01  0.163284D+02  0.154362D+02 -0.468594D+01
      6   0.152527D+00  0.420599D+01  0.603278D+01 -0.930617D+01 -0.556340D+00
               196           197           198           199           200 
      1  -0.415193D+01  0.150625D+02  0.215097D+02 -0.117843D+03  0.120453D+02
      2   0.385337D+01 -0.124564D+02 -0.194628D+02  0.575055D+02 -0.348141D+01
      3   0.298567D+00 -0.260602D+01 -0.204686D+01  0.603374D+02 -0.856386D+01
      4   0.193762D+02  0.950624D+01 -0.617113D+01  0.143032D+02 -0.352899D+02
      5   0.444983D+02 -0.123480D+02  0.174531D+01 -0.410148D+01  0.146043D+02
      6  -0.135962D+01  0.600642D+01  0.383643D+01  0.645487D+01 -0.221448D+01
               201           202           203           204           205 
      1   0.365559D+01  0.923977D+02 -0.149008D+02 -0.525936D+01 -0.150458D+02
      2  -0.260865D+01 -0.573509D+02  0.389607D+00  0.595416D+01  0.120996D+02
      3  -0.104694D+01 -0.350468D+02  0.145112D+02 -0.694801D+00  0.294615D+01
      4   0.105018D+02 -0.119869D+02  0.266713D+02  0.260221D+01  0.485059D+01
      5   0.105187D+01  0.307535D+01  0.159356D+01  0.697731D+01  0.332335D+01
      6  -0.251924D+00  0.510585D+01  0.106129D+02  0.262940D+01  0.218161D+01
               206           207           208           209           210 
      1   0.961324D+00 -0.155851D+02 -0.125468D+02  0.363461D+02 -0.479507D+01
      2   0.710487D+01 -0.680281D+00  0.495323D+01 -0.223417D+02  0.210394D+01
      3  -0.806619D+01  0.162654D+02  0.759361D+01 -0.140044D+02  0.269113D+01
      4   0.958618D+01  0.213370D+02  0.280070D+02  0.446224D+01  0.378849D+01
      5   0.226710D+02 -0.122954D+02 -0.667842D+01  0.434443D+01  0.251491D+02
      6   0.119796D+02 -0.148186D+01  0.788886D+00 -0.862699D+00 -0.555766D+01
               211           212           213           214           215 
      1   0.805349D+01  0.901466D+01 -0.328681D+01  0.661250D+00 -0.351085D+01
      2  -0.148778D+01 -0.283170D+01  0.457737D+01  0.103610D+01  0.326025D+01
      3  -0.656571D+01 -0.618296D+01 -0.129056D+01 -0.169735D+01  0.250599D+00
      4   0.309123D+02  0.133143D+02 -0.537083D+01 -0.569643D+01 -0.597559D+00
      5  -0.637499D+01 -0.452539D+01 -0.894793D+01  0.126358D+02  0.513303D+01
      6  -0.118674D+01  0.180988D+01  0.746772D+01  0.257310D+01  0.295185D+01
               216           217           218           219           220 
      1   0.254315D+01 -0.763311D+02 -0.390952D+02  0.139504D+02 -0.535411D+02
      2  -0.317507D+01  0.449511D+02  0.195550D+02 -0.707856D+01  0.274364D+02
      3   0.631916D+00  0.313800D+02  0.195402D+02 -0.687188D+01  0.261047D+02
      4   0.696597D+01 -0.365765D+02  0.103876D+02  0.230020D+01 -0.158120D+02
      5  -0.288821D+01  0.131459D+02  0.258838D+01 -0.641415D+01  0.720120D+01
      6  -0.222290D+01 -0.133912D+01 -0.862683D+00  0.189164D+01  0.171050D+01
               221           222           223           224           225 
      1   0.914772D+01  0.104236D+02  0.160083D+02  0.785104D+01  0.265382D+01
      2  -0.917491D+01 -0.121670D+02 -0.448069D+01 -0.969154D+01 -0.174054D+01
      3   0.271899D-01  0.174341D+01 -0.115276D+02  0.184050D+01 -0.913282D+00
      4   0.304613D+02  0.201835D+02  0.519619D+01  0.150273D+02  0.395774D+02
      5   0.204220D+02  0.602289D+02 -0.228989D+02  0.432398D+02 -0.378142D+02
      6  -0.808343D+01 -0.175229D+02  0.942048D+01 -0.135456D+02  0.719803D+01
               226           227           228           229           230 
      1  -0.765024D+01 -0.155492D+02  0.439775D+01 -0.764965D+01 -0.442326D+02
      2   0.729465D+01  0.143571D+02 -0.284496D+01  0.725558D+01  0.501275D+02
      3   0.355587D+00  0.119210D+01 -0.155279D+01  0.394066D+00 -0.589491D+01
      4   0.287190D+00  0.528209D+01 -0.876278D+00  0.268624D+01 -0.989935D+01
      5   0.204549D+00 -0.621764D+00  0.896444D+00 -0.914086D-01  0.383899D+01
      6  -0.231793D+01 -0.398974D+01  0.290057D+01 -0.200475D+01 -0.146133D+02
               231           232           233           234           235 
      1   0.109828D+02  0.255669D+01  0.118568D+02 -0.463921D+01  0.328556D+02
      2  -0.899331D+01 -0.225771D+01 -0.115112D+02  0.419202D+01 -0.106985D+02
      3  -0.198952D+01 -0.298982D+00 -0.345594D+00  0.447187D+00 -0.221571D+02
      4   0.265149D+01 -0.102175D+00  0.270809D+01  0.873401D+00 -0.305952D+02
      5  -0.261269D+01  0.145328D+01 -0.405755D+00 -0.194180D-01  0.582346D+01
      6   0.940777D+01  0.621501D+00  0.628830D+01 -0.395830D+01 -0.209093D+01
               236           237           238           239           240 
      1  -0.128272D+02  0.132756D+01 -0.156580D+02  0.424958D+01 -0.892343D+00
      2   0.325157D-01 -0.280259D+00 -0.320322D+01  0.150326D+02 -0.684593D+00
      3   0.127947D+02 -0.104730D+01  0.188612D+02 -0.192822D+02  0.157694D+01
      4   0.248866D+02 -0.356980D+01  0.370542D+02 -0.426565D+02  0.654971D+01
      5  -0.464346D+01  0.401154D+01 -0.883903D+01  0.850898D+01 -0.669079D+01
      6   0.215960D+01 -0.226607D+01  0.533249D+01 -0.632191D+01  0.548909D+01
               241           242           243           244           245 
      1   0.150751D+01 -0.831642D+00 -0.138308D+01  0.521602D+01  0.876196D+01
      2   0.208723D+01 -0.235331D+01  0.170804D+01  0.230937D+01  0.502849D+00
      3  -0.359474D+01  0.318495D+01 -0.324958D+00 -0.752539D+01 -0.926481D+01
      4  -0.779933D+01  0.813995D+01 -0.369742D+01  0.244767D+02  0.225514D+02
      5   0.290961D+00 -0.343211D+01  0.233220D+01 -0.572281D+01 -0.478254D+01
      6  -0.634733D+00  0.306073D+01 -0.199225D+01 -0.284024D+01 -0.262642D+01
               246           247           248           249           250 
      1  -0.212858D+01  0.590755D+01 -0.869837D+01  0.211380D+01 -0.156299D+01
      2   0.745569D+00  0.604563D+01  0.233094D+02 -0.292937D+01 -0.205083D+00
      3   0.138301D+01 -0.119532D+02 -0.146110D+02  0.815573D+00  0.176807D+01
      4  -0.581414D+01  0.298054D+02  0.491468D+02 -0.113424D+02 -0.801750D+01
      5   0.500389D+01 -0.627938D+01 -0.961583D+01  0.861017D+01  0.461000D+01
      6   0.265583D+01 -0.433826D+01 -0.849719D+01  0.749644D+01  0.388094D+01
               251           252           253           254           255 
      1   0.150635D+01 -0.105528D+01  0.317067D+01 -0.784027D+01 -0.125034D+02
      2  -0.413610D+01  0.240063D+01 -0.621604D+00  0.438332D+01  0.614336D+01
      3   0.262975D+01 -0.134536D+01 -0.254907D+01  0.345695D+01  0.636004D+01
      4  -0.129449D+02  0.559676D+01 -0.513064D+01 -0.777714D-01  0.235302D+01
      5   0.355981D+01 -0.337153D+01 -0.113100D+02  0.142669D+01 -0.272655D+01
      6   0.441289D+01 -0.374047D+01  0.324393D+01  0.671747D+00  0.181531D+01
               256           257           258           259           260 
      1  -0.173698D+02  0.889576D+00 -0.146259D+01 -0.275707D+02  0.171930D+01
      2   0.446644D+01  0.120580D+02  0.552943D+01  0.124058D+02  0.316214D+01
      3   0.129033D+02 -0.129475D+02 -0.406684D+01  0.151649D+02 -0.488144D+01
      4   0.312618D+02 -0.546283D+02 -0.282669D+02  0.193663D+02 -0.303803D+02
      5   0.131335D+02 -0.289977D+02 -0.300495D+02  0.211269D+02 -0.304939D+02
      6  -0.634028D+01  0.135968D+02  0.122544D+02 -0.763580D+01  0.130897D+02
               261           262           263           264           265 
      1  -0.156705D+01  0.119779D+02 -0.303601D+01  0.149371D+02 -0.519827D+01
      2  -0.233158D+00 -0.755929D+01  0.188040D+01 -0.689173D+01  0.145133D+01
      3   0.180021D+01 -0.441865D+01  0.115560D+01 -0.804540D+01  0.374694D+01
      4  -0.283322D+02 -0.282147D+01  0.510040D-01 -0.568927D+01  0.183623D+02
      5  -0.327941D+02  0.162314D+02 -0.486257D+01  0.471715D+01 -0.129114D+02
      6   0.122990D+02 -0.370920D+01  0.966260D+00 -0.117892D-01  0.396373D+01
               266           267           268           269           270 
      1   0.308558D+01 -0.380203D+01  0.388628D+02 -0.812689D+01  0.699122D+01
      2   0.921825D+00  0.113057D+01 -0.237539D+02  0.436897D+01 -0.134325D+02
      3  -0.400741D+01  0.267146D+01 -0.151089D+02  0.375792D+01  0.644125D+01
      4  -0.215936D+02  0.160618D+02 -0.211277D+02  0.201877D+02 -0.247455D+02
      5   0.168370D+02 -0.249005D+02  0.393303D+02 -0.279202D+02  0.738309D+02
      6  -0.583224D+01  0.101654D+02 -0.892831D+01  0.104678D+02 -0.164396D+02
               271           272           273           274           275 
      1   0.194332D+03  0.180289D+02 -0.138638D+02  0.568868D+02  0.207294D+02
      2  -0.103070D+03 -0.104268D+02  0.786122D+01 -0.310443D+02 -0.106786D+02
      3  -0.912618D+02 -0.760208D+01  0.600262D+01 -0.258425D+02 -0.100508D+02
      4   0.145953D+02  0.153133D+02 -0.854208D+00  0.240272D+02  0.151029D+02
      5  -0.145397D+02 -0.103679D+01  0.178103D+02 -0.373921D+01 -0.460398D+01
      6   0.217590D+01 -0.134276D-01 -0.107082D+01  0.135596D+00  0.569392D+00
               276           277           278           279 
      1  -0.438933D+01 -0.226387D+02 -0.260386D+01  0.192453D+02
      2   0.306093D+01  0.127891D+02  0.227936D+01 -0.113956D+02
      3   0.132840D+01  0.984962D+01  0.324500D+00 -0.784973D+01
      4  -0.456186D+01 -0.143120D+01 -0.522663D+01 -0.707480D+00
      5   0.459118D+01  0.265150D+02 -0.711536D+00 -0.379160D+01
      6   0.144862D+01 -0.130767D+01  0.224977D+01 -0.144199D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195506D+03      0.289710D+02      0.322346D+02
   aniso      0.156417D+03      0.231786D+02      0.257897D+02
   xx         0.291945D+03      0.432618D+02      0.481353D+02
   yx        -0.165493D+02     -0.245235D+01     -0.272860D+01
   yy         0.174078D+03      0.257957D+02      0.287016D+02
   zx        -0.798042D+01     -0.118258D+01     -0.131579D+01
   zy        -0.111654D+02     -0.165453D+01     -0.184092D+01
   zz         0.120495D+03      0.178555D+02      0.198669D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195506D+03      0.289710D+02      0.322346D+02
   aniso      0.156417D+03      0.231786D+02      0.257897D+02
   xx         0.132458D+03      0.196283D+02      0.218394D+02
   yx        -0.160315D+02     -0.237563D+01     -0.264324D+01
   yy         0.187476D+03      0.277811D+02      0.309106D+02
   zx         0.464371D+02      0.688126D+01      0.765644D+01
   zy        -0.345863D+02     -0.512516D+01     -0.570251D+01
   zz         0.266584D+03      0.395037D+02      0.439538D+02

 ----------------------------------------------------------------------
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 0221,-0.00000017,0.00000644,-0.00000353,0.00000239,-0.00000290,0.00000
 695,-0.00000288,-0.00000025,0.00000007,-0.00000008,0.00000025,0.000000
 86,-0.00000032,-0.00000035,0.00000041,0.00000019,0.00000030,-0.0000004
 8,0.00000022,0.00000051,-0.00000048,0.00000081,0.00000096,-0.00000055,
 0.00000004\\\@


 IF YOU WANT TO LEARN FROM THE THEORETICAL PHYSICISTS ABOUT THE
 METHODS WHICH THEY USE, I ADVISE YOU TO FOLLOW THIS PRINCIPLE VERY STRICTLY:
 DON'T LISTEN TO THEIR WORDS; PAY ATTENTION, INSTEAD, TO THEIR ACTIONS.
 -- A.EINSTEIN, 1934
 Job cpu time:       0 days 21 hours 36 minutes 28.8 seconds.
 Elapsed time:       0 days  2 hours 44 minutes  6.3 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 13:51:46 2021.
